data_HfBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   5.34
_cell_angle_alpha   108.58
_cell_angle_beta   108.58
_cell_angle_gamma   25.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBi3
_chemical_formula_sum   'Hf1 Bi3'
_cell_volume   120.45
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.38  0.0  0.53  1.0
  Bi  Bi1  1  0.02  0.0  0.06  1.0
  Bi  Bi2  1  0.74  0.0  0.99  1.0

data_HfBi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.34
_cell_length_c   7.44
_cell_angle_alpha   108.58
_cell_angle_beta   102.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBi3
_chemical_formula_sum   'Hf1 Bi3'
_cell_volume   120.45
_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
  Bi  Bi1  1  0.0  0.06  0.02  1.0
  Bi  Bi2  1  0.0  0.53  0.38  1.0
  Bi  Bi3  1  0.0  0.99  0.74  1.0

Hf Bi Bi Bi