data_CrRe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   145.25
_cell_angle_beta   132.34
_cell_angle_gamma   60.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Bi
_chemical_formula_sum   'Cr1 Re2 Bi1'
_cell_volume   65.6
_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  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.18  0.39  1.0
  Re  Re3  1  0.61  0.0  0.28  1.0
  Bi  Bi0  1  0.0  0.0  0.67  1.0

data_CrRe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.36
_cell_length_c   5.4
_cell_angle_alpha   113.83
_cell_angle_beta   107.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Bi
_chemical_formula_sum   'Cr1 Re2 Bi1'
_cell_volume   65.6
_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
  Re  Re1  1  0.0  0.28  0.67  1.0
  Re  Re2  1  0.82  0.21  0.21  1.0
  Bi  Bi3  1  0.0  0.67  0.67  1.0

Cr Re Re Bi