InCrV3Se8.cif

# CIF file created by FINDSYM, version 7.0

data_findsym-output
_audit_creation_method FINDSYM

_cell_length_a    7.4836078112
_cell_length_b    7.4836078112
_cell_length_c    18.4495595450
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
_cell_volume      894.8261627949

_symmetry_space_group_name_H-M "R 3 m (hexagonal axes)"
_symmetry_Int_Tables_number 160
_space_group.reference_setting '160:R 3 -2"'
_space_group.transform_Pp_abc a,b,c;0,0,0

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 -y,-x,z
5 x,x-y,z
6 -x+y,y,z
7 x+1/3,y+2/3,z+2/3
8 -y+1/3,x-y+2/3,z+2/3
9 -x+y+1/3,-x+2/3,z+2/3
10 -y+1/3,-x+2/3,z+2/3
11 x+1/3,x-y+2/3,z+2/3
12 -x+y+1/3,y+2/3,z+2/3
13 x+2/3,y+1/3,z+1/3
14 -y+2/3,x-y+1/3,z+1/3
15 -x+y+2/3,-x+1/3,z+1/3
16 -y+2/3,-x+1/3,z+1/3
17 x+2/3,x-y+1/3,z+1/3
18 -x+y+2/3,y+1/3,z+1/3

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_fract_symmform
In1 In   3 a 0.00000 0.00000 0.00190 1.00000 0,0,Dz    
Cr1 Cr   3 a 0.00000 0.00000 0.37879 1.00000 0,0,Dz    
V1  V    9 b 0.19022 0.80978 0.20138 1.00000 Dx,-Dx,Dz 
Se1 Se   3 a 0.00000 0.00000 0.62414 1.00000 0,0,Dz    
Se2 Se   9 b 0.49754 0.50246 0.12167 1.00000 Dx,-Dx,Dz 
Se3 Se   3 a 0.00000 0.00000 0.14232 1.00000 0,0,Dz    
Se4 Se   9 b 0.85228 0.14772 0.28341 1.00000 Dx,-Dx,Dz 

# end of cif