
data_170581-ICSD
_cell_length_a    11.877
_cell_length_b    11.877
_cell_length_c    11.877
_cell_angle_alpha    90.000
_cell_angle_beta    90.000
_cell_angle_gamma    90.000
_symmetry_Int_tables_number 223
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
 1 X,Y,Z
 2 X,-Y,-Z
 3 X,-Y,Z
 4 1/2-Z,1/2-Y,1/2+X
 5 1/2+Z,1/2-Y,1/2+X
 6 1/2-Y,1/2+X,1/2-Z
 7 1/2-Y,1/2+X,1/2+Z
 8 -Y,-Z,X
 9 -Y,Z,X
 10 1/2+X,1/2-Z,1/2-Y
 11 1/2+X,1/2-Z,1/2+Y
 12 1/2+X,1/2+Z,1/2-Y
 13 1/2+X,1/2+Z,1/2+Y
 14 -Z,X,-Y
 15 -Z,X,Y
 16 Z,X,-Y
 17 Z,X,Y
 18 1/2+Y,1/2+X,1/2-Z
 19 1/2+Y,1/2+X,1/2+Z
 20 Y,-Z,X
 21 Y,Z,X
 22 X,Y,-Z
 23 1/2-Z,1/2+Y,1/2+X
 24 1/2+Z,1/2+Y,1/2+X
 25 -X,-Y,-Z
 26 -X,Y,Z
 27 -X,Y,-Z
 28 1/2+Z,1/2+Y,1/2-X
 29 1/2-Z,1/2+Y,1/2-X
 30 1/2+Y,1/2-X,1/2+Z
 31 1/2+Y,1/2-X,1/2-Z
 32 Y,Z,-X
 33 Y,-Z,-X
 34 1/2-X,1/2+Z,1/2+Y
 35 1/2-X,1/2+Z,1/2-Y
 36 1/2-X,1/2-Z,1/2+Y
 37 1/2-X,1/2-Z,1/2-Y
 38 Z,-X,Y
 39 Z,-X,-Y
 40 -Z,-X,Y
 41 -Z,-X,-Y
 42 1/2-Y,1/2-X,1/2+Z
 43 1/2-Y,1/2-X,1/2-Z
 44 -Y,Z,-X
 45 -Y,-Z,-X
 46 -X,-Y,Z
 47 1/2+Z,1/2-Y,1/2-X
 48 1/2-Z,1/2-Y,1/2-X
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
O1    O   24   0.00000   0.30860   0.11683   0.00000   1.00000
H1    H   24   0.00000   0.32500   0.05100   0.04400   0.50000
H2    H   48   0.05100   0.27100   0.13400   0.04400   0.50000
H3    H   24   0.00000   0.36000   0.15000   0.04400   0.50000
O2    O   16   0.18345   0.18345   0.18345   0.00000   1.00000
H4    H   16   0.21600   0.21600   0.21600   0.04300   0.50000
H5    H   48   0.16200   0.12800   0.22000   0.04300   0.50000
O3    O    6   0.00000   0.50000   0.25000   0.00000   1.00000
H6    H   24   0.00000   0.44700   0.21100   0.04400   0.50000
C1    C    2   0.00000   0.00000   0.00000   0.00000   1.00000
H7    H   24   0.00000   0.04900   0.08600   0.07800   0.33000
C2    C    6   0.25000   0.50000   0.00000   0.00000   1.00000
H8    H   24   0.29860   0.50000   0.06870   0.17000   0.50000
H9    H   24   0.20140   0.50000   0.06870   0.17000   0.50000
