data_Cr3Bi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.92
_cell_length_b   13.92
_cell_length_c   13.92
_cell_angle_alpha   165.1
_cell_angle_beta   165.1
_cell_angle_gamma   21.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Bi4
_chemical_formula_sum   'Cr3 Bi4'
_cell_volume   178.24
_cell_formula_units_Z   1
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  0.0  1.0
  Cr  Cr5  1  0.0  0.0  0.75  1.0
  Cr  Cr6  1  0.0  0.0  0.61  1.0
  Bi  Bi0  1  0.0  0.0  0.7  1.0
  Bi  Bi1  1  0.0  0.0  0.66  1.0
  Bi  Bi2  1  0.0  0.0  0.29  1.0
  Bi  Bi3  1  0.0  0.0  0.07  1.0

data_Cr3Bi4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   13.92
_cell_angle_alpha   90.0
_cell_angle_beta   100.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr3Bi4
_chemical_formula_sum   'Cr6 Bi8'
_cell_volume   356.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.25  1.0
  Cr  Cr2  2  0.0  0.0  0.39  1.0
  Bi  Bi3  2  0.0  0.0  0.3  1.0
  Bi  Bi4  2  0.0  0.0  0.34  1.0
  Bi  Bi5  2  0.0  0.0  0.71  1.0
  Bi  Bi6  2  0.0  0.0  0.93  1.0

Cr Cr Cr Bi Bi Bi Bi
Cr Cr Cr Bi Bi Bi Bi 0 6 o o o 0 5 o o o 1 3 o o o 2 4 o o o 3 4 o o o 5 5 + o + 5 5 o + + 5 6 o o o 