MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	-x,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
3	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
4	x,-y,z,+1	{ m₀₁₀ \| 0 }
(0,1/2,1/2) + set click here to show and hide
5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	-x,y+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
7	-x,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
8	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
(1/2,0,1/2) + set click here to show and hide
9	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
10	-x+1/2,y,-z,+1	{ 2₀₁₀ \| 1/2 0 0 }
11	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
12	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
(1/2,1/2,0) + set click here to show and hide
13	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
14	-x+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
15	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
16	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
(0,1/2,0)' + set click here to show and hide
17	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
18	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
19	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
20	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
(0,0,1/2)' + set click here to show and hide
21	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
22	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
23	-x,-y,-z,-1	{ -1' \| 0 }
24	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
(1/2,1/2,1/2)' + set click here to show and hide
25	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
26	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
27	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
28	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
(1/2,0,0)' + set click here to show and hide
29	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
30	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
31	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
32	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Cu1_1	Cu	0.25000	0.25000	0.03355	0.5	16	m_x,0,m_z	0.0	0.0	0.00
Cu1_2	Cu	0.25000	0.25000	0.15855	0.5	16	m_x,0,m_z	0.0	0.0	0.00
Cu1_3	Cu	0.25000	0.25000	0.09145	0.5	16	m_x,0,m_z	0.0	0.0	0.00
Cu1_4	Cu	0.25000	0.25000	0.28355	0.5	16	m_x,0,m_z	0.0	0.0	0.00
Fe1_1	Fe	0.25000	0.25000	0.03355	0.5	16	m_x,0,m_z	1.92	1.35	2.35
Fe1_2	Fe	0.25000	0.25000	0.15855	0.5	16	m_x,0,m_z	-1.92	-1.35	2.35
Fe1_3	Fe	0.25000	0.25000	0.09145	0.5	16	m_x,0,m_z	-1.92	-1.35	2.35
Fe1_4	Fe	0.25000	0.25000	0.28355	0.5	16	m_x,0,m_z	1.92	1.35	2.35

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Y1_1	Y	0.00000	0.00000	0.06250	1.	16
Y1_2	Y	0.00000	0.00000	0.18750	1.	16
Ba1_1	Ba	0.00000	0.00000	0.00000	1.	8
Ba1_2	Ba	0.00000	0.00000	0.12500	1.	16
Ba1_3	Ba	0.00000	0.00000	0.25000	1.	8
O1_1	O	0.00000	0.25000	0.03950	1.	16
O1_2	O	0.25000	0.00000	0.03950	1.	16
O1_3	O	0.00000	0.25000	0.16450	1.	16
O1_4	O	0.25000	0.00000	0.16450	1.	16
O1_5	O	0.00000	0.25000	0.08550	1.	16
O1_6	O	0.25000	0.00000	0.08550	1.	16
O1_7	O	0.00000	0.25000	0.28950	1.	16
O1_8	O	0.25000	0.00000	0.28950	1.	16
O2_1	O	0.25000	0.25000	0.00000	1.	8
O2_2	O	0.25000	0.25000	0.12500	1.	16
O2_3	O	0.25000	0.25000	0.25000	1.	8

[Show all atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.03355	m_x,0,m_z	0.00000	0.00000	0.00000
2	0.75000	0.25000	0.46645	-m_x,0,-m_z	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.53355	m_x,0,m_z	0.00000	0.00000	0.00000
4	0.75000	0.75000	0.96645	-m_x,0,-m_z	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.53355	m_x,0,m_z	0.00000	0.00000	0.00000
6	0.25000	0.25000	0.96645	-m_x,0,-m_z	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.03355	m_x,0,m_z	0.00000	0.00000	0.00000
8	0.25000	0.75000	0.46645	-m_x,0,-m_z	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.75000	0.03355	-m_x,0,-m_z	0.00000	0.00000	0.00000
10	0.75000	0.75000	0.46645	m_x,0,m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.25000	0.25000	0.53355	-m_x,0,-m_z	0.00000	0.00000	0.00000
12	0.75000	0.25000	0.96645	m_x,0,m_z	0.00000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75000	0.75000	0.53355	-m_x,0,-m_z	0.00000	0.00000	0.00000
14	0.25000	0.75000	0.96645	m_x,0,m_z	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.25000	0.03355	-m_x,0,-m_z	0.00000	0.00000	0.00000
16	0.25000	0.25000	0.46645	m_x,0,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.15855	m_x,0,m_z	0.00000	0.00000	0.00000
2	0.75000	0.25000	0.34145	-m_x,0,-m_z	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.65855	m_x,0,m_z	0.00000	0.00000	0.00000
4	0.75000	0.75000	0.84145	-m_x,0,-m_z	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.65855	m_x,0,m_z	0.00000	0.00000	0.00000
6	0.25000	0.25000	0.84145	-m_x,0,-m_z	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.15855	m_x,0,m_z	0.00000	0.00000	0.00000
8	0.25000	0.75000	0.34145	-m_x,0,-m_z	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.75000	0.15855	-m_x,0,-m_z	0.00000	0.00000	0.00000
10	0.75000	0.75000	0.34145	m_x,0,m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.25000	0.25000	0.65855	-m_x,0,-m_z	0.00000	0.00000	0.00000
12	0.75000	0.25000	0.84145	m_x,0,m_z	0.00000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75000	0.75000	0.65855	-m_x,0,-m_z	0.00000	0.00000	0.00000
14	0.25000	0.75000	0.84145	m_x,0,m_z	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.25000	0.15855	-m_x,0,-m_z	0.00000	0.00000	0.00000
16	0.25000	0.25000	0.34145	m_x,0,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.09145	m_x,0,m_z	0.00000	0.00000	0.00000
2	0.75000	0.25000	0.40855	-m_x,0,-m_z	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.59145	m_x,0,m_z	0.00000	0.00000	0.00000
4	0.75000	0.75000	0.90855	-m_x,0,-m_z	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.59145	m_x,0,m_z	0.00000	0.00000	0.00000
6	0.25000	0.25000	0.90855	-m_x,0,-m_z	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.09145	m_x,0,m_z	0.00000	0.00000	0.00000
8	0.25000	0.75000	0.40855	-m_x,0,-m_z	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.75000	0.09145	-m_x,0,-m_z	0.00000	0.00000	0.00000
10	0.75000	0.75000	0.40855	m_x,0,m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.25000	0.25000	0.59145	-m_x,0,-m_z	0.00000	0.00000	0.00000
12	0.75000	0.25000	0.90855	m_x,0,m_z	0.00000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75000	0.75000	0.59145	-m_x,0,-m_z	0.00000	0.00000	0.00000
14	0.25000	0.75000	0.90855	m_x,0,m_z	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.25000	0.09145	-m_x,0,-m_z	0.00000	0.00000	0.00000
16	0.25000	0.25000	0.40855	m_x,0,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.28355	m_x,0,m_z	0.00000	0.00000	0.00000
2	0.75000	0.25000	0.21645	-m_x,0,-m_z	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.78355	m_x,0,m_z	0.00000	0.00000	0.00000
4	0.75000	0.75000	0.71645	-m_x,0,-m_z	0.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.78355	m_x,0,m_z	0.00000	0.00000	0.00000
6	0.25000	0.25000	0.71645	-m_x,0,-m_z	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.28355	m_x,0,m_z	0.00000	0.00000	0.00000
8	0.25000	0.75000	0.21645	-m_x,0,-m_z	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.75000	0.28355	-m_x,0,-m_z	0.00000	0.00000	0.00000
10	0.75000	0.75000	0.21645	m_x,0,m_z	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.25000	0.25000	0.78355	-m_x,0,-m_z	0.00000	0.00000	0.00000
12	0.75000	0.25000	0.71645	m_x,0,m_z	0.00000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75000	0.75000	0.78355	-m_x,0,-m_z	0.00000	0.00000	0.00000
14	0.25000	0.75000	0.71645	m_x,0,m_z	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.25000	0.28355	-m_x,0,-m_z	0.00000	0.00000	0.00000
16	0.25000	0.25000	0.21645	m_x,0,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.03355	m_x,0,m_z	1.92000	0.00000	1.35000
2	0.75000	0.25000	0.46645	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.53355	m_x,0,m_z	1.92000	0.00000	1.35000
4	0.75000	0.75000	0.96645	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.53355	m_x,0,m_z	1.92000	0.00000	1.35000
6	0.25000	0.25000	0.96645	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.03355	m_x,0,m_z	1.92000	0.00000	1.35000
8	0.25000	0.75000	0.46645	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.75000	0.03355	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
10	0.75000	0.75000	0.46645	m_x,0,m_z	1.92000	0.00000	1.35000
(0,0,1/2)' + set click here to show and hide
11	0.25000	0.25000	0.53355	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
12	0.75000	0.25000	0.96645	m_x,0,m_z	1.92000	0.00000	1.35000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75000	0.75000	0.53355	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
14	0.25000	0.75000	0.96645	m_x,0,m_z	1.92000	0.00000	1.35000
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.25000	0.03355	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
16	0.25000	0.25000	0.46645	m_x,0,m_z	1.92000	0.00000	1.35000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.15855	m_x,0,m_z	-1.92000	0.00000	-1.35000
2	0.75000	0.25000	0.34145	-m_x,0,-m_z	1.92000	0.00000	1.35000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.65855	m_x,0,m_z	-1.92000	0.00000	-1.35000
4	0.75000	0.75000	0.84145	-m_x,0,-m_z	1.92000	0.00000	1.35000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.65855	m_x,0,m_z	-1.92000	0.00000	-1.35000
6	0.25000	0.25000	0.84145	-m_x,0,-m_z	1.92000	0.00000	1.35000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.15855	m_x,0,m_z	-1.92000	0.00000	-1.35000
8	0.25000	0.75000	0.34145	-m_x,0,-m_z	1.92000	0.00000	1.35000
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.75000	0.15855	-m_x,0,-m_z	1.92000	0.00000	1.35000
10	0.75000	0.75000	0.34145	m_x,0,m_z	-1.92000	0.00000	-1.35000
(0,0,1/2)' + set click here to show and hide
11	0.25000	0.25000	0.65855	-m_x,0,-m_z	1.92000	0.00000	1.35000
12	0.75000	0.25000	0.84145	m_x,0,m_z	-1.92000	0.00000	-1.35000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75000	0.75000	0.65855	-m_x,0,-m_z	1.92000	0.00000	1.35000
14	0.25000	0.75000	0.84145	m_x,0,m_z	-1.92000	0.00000	-1.35000
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.25000	0.15855	-m_x,0,-m_z	1.92000	0.00000	1.35000
16	0.25000	0.25000	0.34145	m_x,0,m_z	-1.92000	0.00000	-1.35000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.09145	m_x,0,m_z	-1.92000	0.00000	-1.35000
2	0.75000	0.25000	0.40855	-m_x,0,-m_z	1.92000	0.00000	1.35000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.59145	m_x,0,m_z	-1.92000	0.00000	-1.35000
4	0.75000	0.75000	0.90855	-m_x,0,-m_z	1.92000	0.00000	1.35000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.59145	m_x,0,m_z	-1.92000	0.00000	-1.35000
6	0.25000	0.25000	0.90855	-m_x,0,-m_z	1.92000	0.00000	1.35000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.09145	m_x,0,m_z	-1.92000	0.00000	-1.35000
8	0.25000	0.75000	0.40855	-m_x,0,-m_z	1.92000	0.00000	1.35000
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.75000	0.09145	-m_x,0,-m_z	1.92000	0.00000	1.35000
10	0.75000	0.75000	0.40855	m_x,0,m_z	-1.92000	0.00000	-1.35000
(0,0,1/2)' + set click here to show and hide
11	0.25000	0.25000	0.59145	-m_x,0,-m_z	1.92000	0.00000	1.35000
12	0.75000	0.25000	0.90855	m_x,0,m_z	-1.92000	0.00000	-1.35000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75000	0.75000	0.59145	-m_x,0,-m_z	1.92000	0.00000	1.35000
14	0.25000	0.75000	0.90855	m_x,0,m_z	-1.92000	0.00000	-1.35000
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.25000	0.09145	-m_x,0,-m_z	1.92000	0.00000	1.35000
16	0.25000	0.25000	0.40855	m_x,0,m_z	-1.92000	0.00000	-1.35000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_4:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.28355	m_x,0,m_z	1.92000	0.00000	1.35000
2	0.75000	0.25000	0.21645	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.78355	m_x,0,m_z	1.92000	0.00000	1.35000
4	0.75000	0.75000	0.71645	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.78355	m_x,0,m_z	1.92000	0.00000	1.35000
6	0.25000	0.25000	0.71645	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.28355	m_x,0,m_z	1.92000	0.00000	1.35000
8	0.25000	0.75000	0.21645	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.75000	0.28355	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
10	0.75000	0.75000	0.21645	m_x,0,m_z	1.92000	0.00000	1.35000
(0,0,1/2)' + set click here to show and hide
11	0.25000	0.25000	0.78355	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
12	0.75000	0.25000	0.71645	m_x,0,m_z	1.92000	0.00000	1.35000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75000	0.75000	0.78355	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
14	0.25000	0.75000	0.71645	m_x,0,m_z	1.92000	0.00000	1.35000
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.25000	0.28355	-m_x,0,-m_z	-1.92000	0.00000	-1.35000
16	0.25000	0.25000	0.21645	m_x,0,m_z	1.92000	0.00000	1.35000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Y1_1:

Atom	x	y	z
1	0.00000	0.00000	0.06250
2	0.00000	0.00000	0.43750
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.56250
4	0.00000	0.50000	0.93750
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.56250
6	0.50000	0.00000	0.93750
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.50000	0.06250
8	0.50000	0.50000	0.43750
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.06250
10	0.00000	0.50000	0.43750
(0,0,1/2)' + set click here to show and hide
11	0.00000	0.00000	0.56250
12	0.00000	0.00000	0.93750
(1/2,1/2,1/2)' + set click here to show and hide
13	0.50000	0.50000	0.56250
14	0.50000	0.50000	0.93750
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.06250
16	0.50000	0.00000	0.43750

Set of atoms in the unit cell related by symmetry with the atom Y1_2:

Atom	x	y	z
1	0.00000	0.00000	0.18750
2	0.00000	0.00000	0.31250
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.68750
4	0.00000	0.50000	0.81250
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.68750
6	0.50000	0.00000	0.81250
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.50000	0.18750
8	0.50000	0.50000	0.31250
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.18750
10	0.00000	0.50000	0.31250
(0,0,1/2)' + set click here to show and hide
11	0.00000	0.00000	0.68750
12	0.00000	0.00000	0.81250
(1/2,1/2,1/2)' + set click here to show and hide
13	0.50000	0.50000	0.68750
14	0.50000	0.50000	0.81250
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.18750
16	0.50000	0.00000	0.31250

Set of atoms in the unit cell related by symmetry with the atom Ba1_1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.00000
(0,0,1/2)' + set click here to show and hide
6	0.00000	0.00000	0.50000
(1/2,1/2,1/2)' + set click here to show and hide
7	0.50000	0.50000	0.50000
(1/2,0,0)' + set click here to show and hide
8	0.50000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the atom Ba1_2:

Atom	x	y	z
1	0.00000	0.00000	0.12500
2	0.00000	0.00000	0.37500
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.62500
4	0.00000	0.50000	0.87500
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.62500
6	0.50000	0.00000	0.87500
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.50000	0.12500
8	0.50000	0.50000	0.37500
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.12500
10	0.00000	0.50000	0.37500
(0,0,1/2)' + set click here to show and hide
11	0.00000	0.00000	0.62500
12	0.00000	0.00000	0.87500
(1/2,1/2,1/2)' + set click here to show and hide
13	0.50000	0.50000	0.62500
14	0.50000	0.50000	0.87500
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.00000	0.12500
16	0.50000	0.00000	0.37500

Set of atoms in the unit cell related by symmetry with the atom Ba1_3:

Atom	x	y	z
1	0.00000	0.00000	0.25000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.75000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.75000
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.25000
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.25000
(0,0,1/2)' + set click here to show and hide
6	0.00000	0.00000	0.75000
(1/2,1/2,1/2)' + set click here to show and hide
7	0.50000	0.50000	0.75000
(1/2,0,0)' + set click here to show and hide
8	0.50000	0.00000	0.25000

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.00000	0.25000	0.03950
2	0.00000	0.25000	0.46050
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.75000	0.53950
4	0.00000	0.75000	0.96050
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.25000	0.53950
6	0.50000	0.25000	0.96050
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.75000	0.03950
8	0.50000	0.75000	0.46050
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.75000	0.03950
10	0.00000	0.75000	0.46050
(0,0,1/2)' + set click here to show and hide
11	0.00000	0.25000	0.53950
12	0.00000	0.25000	0.96050
(1/2,1/2,1/2)' + set click here to show and hide
13	0.50000	0.75000	0.53950
14	0.50000	0.75000	0.96050
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.25000	0.03950
16	0.50000	0.25000	0.46050

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.25000	0.00000	0.03950
2	0.75000	0.00000	0.46050
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.50000	0.53950
4	0.75000	0.50000	0.96050
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.53950
6	0.25000	0.00000	0.96050
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.50000	0.03950
8	0.25000	0.50000	0.46050
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.50000	0.03950
10	0.75000	0.50000	0.46050
(0,0,1/2)' + set click here to show and hide
11	0.25000	0.00000	0.53950
12	0.75000	0.00000	0.96050
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75000	0.50000	0.53950
14	0.25000	0.50000	0.96050
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.00000	0.03950
16	0.25000	0.00000	0.46050

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.00000	0.25000	0.16450
2	0.00000	0.25000	0.33550
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.75000	0.66450
4	0.00000	0.75000	0.83550
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.25000	0.66450
6	0.50000	0.25000	0.83550
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.75000	0.16450
8	0.50000	0.75000	0.33550
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.75000	0.16450
10	0.00000	0.75000	0.33550
(0,0,1/2)' + set click here to show and hide
11	0.00000	0.25000	0.66450
12	0.00000	0.25000	0.83550
(1/2,1/2,1/2)' + set click here to show and hide
13	0.50000	0.75000	0.66450
14	0.50000	0.75000	0.83550
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.25000	0.16450
16	0.50000	0.25000	0.33550

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.25000	0.00000	0.16450
2	0.75000	0.00000	0.33550
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.50000	0.66450
4	0.75000	0.50000	0.83550
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.66450
6	0.25000	0.00000	0.83550
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.50000	0.16450
8	0.25000	0.50000	0.33550
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.50000	0.16450
10	0.75000	0.50000	0.33550
(0,0,1/2)' + set click here to show and hide
11	0.25000	0.00000	0.66450
12	0.75000	0.00000	0.83550
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75000	0.50000	0.66450
14	0.25000	0.50000	0.83550
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.00000	0.16450
16	0.25000	0.00000	0.33550

Set of atoms in the unit cell related by symmetry with the atom O1_5:

Atom	x	y	z
1	0.00000	0.25000	0.08550
2	0.00000	0.25000	0.41450
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.75000	0.58550
4	0.00000	0.75000	0.91450
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.25000	0.58550
6	0.50000	0.25000	0.91450
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.75000	0.08550
8	0.50000	0.75000	0.41450
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.75000	0.08550
10	0.00000	0.75000	0.41450
(0,0,1/2)' + set click here to show and hide
11	0.00000	0.25000	0.58550
12	0.00000	0.25000	0.91450
(1/2,1/2,1/2)' + set click here to show and hide
13	0.50000	0.75000	0.58550
14	0.50000	0.75000	0.91450
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.25000	0.08550
16	0.50000	0.25000	0.41450

Set of atoms in the unit cell related by symmetry with the atom O1_6:

Atom	x	y	z
1	0.25000	0.00000	0.08550
2	0.75000	0.00000	0.41450
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.50000	0.58550
4	0.75000	0.50000	0.91450
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.58550
6	0.25000	0.00000	0.91450
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.50000	0.08550
8	0.25000	0.50000	0.41450
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.50000	0.08550
10	0.75000	0.50000	0.41450
(0,0,1/2)' + set click here to show and hide
11	0.25000	0.00000	0.58550
12	0.75000	0.00000	0.91450
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75000	0.50000	0.58550
14	0.25000	0.50000	0.91450
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.00000	0.08550
16	0.25000	0.00000	0.41450

Set of atoms in the unit cell related by symmetry with the atom O1_7:

Atom	x	y	z
1	0.00000	0.25000	0.28950
2	0.00000	0.25000	0.21050
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.75000	0.78950
4	0.00000	0.75000	0.71050
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.25000	0.78950
6	0.50000	0.25000	0.71050
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.75000	0.28950
8	0.50000	0.75000	0.21050
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.75000	0.28950
10	0.00000	0.75000	0.21050
(0,0,1/2)' + set click here to show and hide
11	0.00000	0.25000	0.78950
12	0.00000	0.25000	0.71050
(1/2,1/2,1/2)' + set click here to show and hide
13	0.50000	0.75000	0.78950
14	0.50000	0.75000	0.71050
(1/2,0,0)' + set click here to show and hide
15	0.50000	0.25000	0.28950
16	0.50000	0.25000	0.21050

Set of atoms in the unit cell related by symmetry with the atom O1_8:

Atom	x	y	z
1	0.25000	0.00000	0.28950
2	0.75000	0.00000	0.21050
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.50000	0.78950
4	0.75000	0.50000	0.71050
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.00000	0.78950
6	0.25000	0.00000	0.71050
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.50000	0.28950
8	0.25000	0.50000	0.21050
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.50000	0.28950
10	0.75000	0.50000	0.21050
(0,0,1/2)' + set click here to show and hide
11	0.25000	0.00000	0.78950
12	0.75000	0.00000	0.71050
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75000	0.50000	0.78950
14	0.25000	0.50000	0.71050
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.00000	0.28950
16	0.25000	0.00000	0.21050

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.25000	0.25000	0.00000
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.75000	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.25000	0.50000
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.75000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.25000	0.75000	0.00000
(0,0,1/2)' + set click here to show and hide
6	0.25000	0.25000	0.50000
(1/2,1/2,1/2)' + set click here to show and hide
7	0.75000	0.75000	0.50000
(1/2,0,0)' + set click here to show and hide
8	0.75000	0.25000	0.00000

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.25000	0.25000	0.12500
2	0.75000	0.25000	0.37500
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.62500
4	0.75000	0.75000	0.87500
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.62500
6	0.25000	0.25000	0.87500
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.12500
8	0.25000	0.75000	0.37500
(0,1/2,0)' + set click here to show and hide
9	0.25000	0.75000	0.12500
10	0.75000	0.75000	0.37500
(0,0,1/2)' + set click here to show and hide
11	0.25000	0.25000	0.62500
12	0.75000	0.25000	0.87500
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75000	0.75000	0.62500
14	0.25000	0.75000	0.87500
(1/2,0,0)' + set click here to show and hide
15	0.75000	0.25000	0.12500
16	0.25000	0.25000	0.37500

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.25000	0.25000	0.25000
(0,1/2,1/2) + set click here to show and hide
2	0.25000	0.75000	0.75000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.25000	0.75000
(1/2,1/2,0) + set click here to show and hide
4	0.75000	0.75000	0.25000
(0,1/2,0)' + set click here to show and hide
5	0.25000	0.75000	0.25000
(0,0,1/2)' + set click here to show and hide
6	0.25000	0.25000	0.75000
(1/2,1/2,1/2)' + set click here to show and hide
7	0.75000	0.75000	0.75000
(1/2,0,0)' + set click here to show and hide
8	0.75000	0.25000	0.25000

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Cu1_1	Cu	0.25000	0.25000	0.03355	0.5	16	m_x,0,m_z	0.0	0.0	0.00
Cu1_2	Cu	0.25000	0.25000	0.15855	0.5	16	m_x,0,m_z	0.0	0.0	0.00
Cu1_3	Cu	0.25000	0.25000	0.09145	0.5	16	m_x,0,m_z	0.0	0.0	0.00
Cu1_4	Cu	0.25000	0.25000	0.28355	0.5	16	m_x,0,m_z	0.0	0.0	0.00
Fe1_1	Fe	0.25000	0.25000	0.03355	0.5	16	m_x,0,m_z	1.92	1.35	2.35
Fe1_2	Fe	0.25000	0.25000	0.15855	0.5	16	m_x,0,m_z	-1.92	-1.35	2.35
Fe1_3	Fe	0.25000	0.25000	0.09145	0.5	16	m_x,0,m_z	-1.92	-1.35	2.35
Fe1_4	Fe	0.25000	0.25000	0.28355	0.5	16	m_x,0,m_z	1.92	1.35	2.35

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given: