data_HfRe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   3.0
_cell_angle_alpha   104.05
_cell_angle_beta   104.05
_cell_angle_gamma   115.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRe2Bi
_chemical_formula_sum   'Hf1 Re2 Bi1'
_cell_volume   74.89
_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
  Hf  Hf1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.8  0.36  0.34  1.0
  Re  Re3  1  0.8  0.64  0.34  1.0
  Bi  Bi0  1  0.97  0.0  0.0  1.0

data_HfRe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.29
_cell_length_c   5.58
_cell_angle_alpha   117.34
_cell_angle_beta   104.05
_cell_angle_gamma   93.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfRe2Bi
_chemical_formula_sum   'Hf1 Re2 Bi1'
_cell_volume   74.89
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.7  0.36  0.16  1.0
  Re  Re2  1  0.98  0.64  0.44  1.0
  Bi  Bi3  1  -0.0  0.0  0.97  1.0

Hf Re Re Bi