data_CrRe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Bi
_chemical_formula_sum   'Cr1 Re2 Bi1'
_cell_volume   67.27
_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  0.31  0.1  0.52  1.0
  Re  Re3  1  0.31  0.9  0.52  1.0
  Bi  Bi0  1  0.62  0.0  0.0  1.0

data_CrRe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   116.16
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrRe2Bi
_chemical_formula_sum   'Cr1 Re2 Bi1'
_cell_volume   67.27
_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  0.52  0.31  0.1  1.0
  Re  Re2  1  0.52  0.31  0.9  1.0
  Bi  Bi3  1  0.0  0.62  0.0  1.0

Cr Re Re Bi