data_CrBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   105.57
_cell_angle_beta   105.57
_cell_angle_gamma   117.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBi2
_chemical_formula_sum   'Cr2 Bi4'
_cell_volume   149.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr4  1  0.0  0.0  0.53  1.0
  Cr  Cr5  1  0.0  0.0  0.51  1.0
  Bi  Bi0  1  0.16  0.36  0.0  1.0
  Bi  Bi1  1  0.36  0.16  0.02  1.0
  Bi  Bi2  1  0.68  0.16  0.0  1.0
  Bi  Bi3  1  0.84  0.36  0.02  1.0

data_CrBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   105.57
_cell_angle_beta   105.57
_cell_angle_gamma   117.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrBi2
_chemical_formula_sum   'Cr2 Bi4'
_cell_volume   149.78
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Cr  Cr0  1  0.51  0.51  0.51  1.0
  Cr  Cr1  1  0.53  0.53  0.53  1.0
  Bi  Bi2  1  0.18  0.65  0.02  1.0
  Bi  Bi3  1  0.32  0.84  0.0  1.0
  Bi  Bi4  1  0.65  0.86  0.02  1.0
  Bi  Bi5  1  0.84  0.64  0.0  1.0

Cr Cr Bi Bi Bi Bi
Cr Cr Bi Bi Bi Bi 0 1 o o o 2 5 - o o 2 3 o o o 3 4 o o o 4 5 o o o 