data_HfReBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.63
_cell_length_c   7.63
_cell_angle_alpha   154.26
_cell_angle_beta   146.47
_cell_angle_gamma   42.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfReBi2
_chemical_formula_sum   'Hf1 Re1 Bi2'
_cell_volume   106.24
_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
  Hf  Hf2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.1  1.0
  Bi  Bi0  1  0.0  0.2  0.31  1.0
  Bi  Bi1  1  0.7  0.0  0.8  1.0

data_HfReBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.4
_cell_length_c   7.63
_cell_angle_alpha   106.76
_cell_angle_beta   102.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfReBi2
_chemical_formula_sum   'Hf1 Re1 Bi2'
_cell_volume   106.24
_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
  Hf  Hf0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.1  0.1  1.0
  Bi  Bi2  1  0.0  0.8  0.1  1.0
  Bi  Bi3  1  0.8  0.11  0.11  1.0

Hf Re Bi Bi