data_HfCrBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.38
_cell_angle_alpha   105.17
_cell_angle_beta   105.17
_cell_angle_gamma   33.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrBi2
_chemical_formula_sum   'Hf1 Cr1 Bi2'
_cell_volume   93.73
_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  Hf3  1  0.06  0.0  0.1  1.0
  Cr  Cr2  1  0.56  0.0  0.78  1.0
  Bi  Bi0  1  0.05  0.0  0.33  1.0
  Bi  Bi1  1  0.52  0.0  0.55  1.0

data_HfCrBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.38
_cell_length_c   5.71
_cell_angle_alpha   105.17
_cell_angle_beta   106.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrBi2
_chemical_formula_sum   'Hf1 Cr1 Bi2'
_cell_volume   93.73
_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  0.1  0.06  1.0
  Cr  Cr1  1  0.0  0.78  0.56  1.0
  Bi  Bi2  1  0.0  0.33  0.05  1.0
  Bi  Bi3  1  0.0  0.55  0.52  1.0

Hf Cr Bi Bi