data_Cr5Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.18
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   132.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Bi
_chemical_formula_sum   'Cr5 Bi1'
_cell_volume   81.92
_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  Cr1  1  0.08  0.74  0.0  1.0
  Cr  Cr2  1  0.08  0.97  0.09  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Cr  Cr4  1  0.08  0.03  0.09  1.0
  Cr  Cr5  1  0.08  0.26  0.0  1.0
  Bi  Bi0  1  0.08  0.0  0.09  1.0

data_Cr5Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.17
_cell_length_b   4.18
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   113.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr5Bi
_chemical_formula_sum   'Cr5 Bi1'
_cell_volume   81.92
_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  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.03  0.91  0.95  1.0
  Cr  Cr2  1  0.26  0.0  0.17  1.0
  Cr  Cr3  1  0.74  0.0  0.66  1.0
  Cr  Cr4  1  0.97  0.91  0.88  1.0
  Bi  Bi5  1  0.0  0.91  0.92  1.0

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