data_Hf4Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.58
_cell_length_b   11.56
_cell_length_c   3.24
_cell_angle_alpha   82.23
_cell_angle_beta   81.7
_cell_angle_gamma   16.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Bi
_chemical_formula_sum   'Hf4 Bi1'
_cell_volume   118.7
_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  0.25  0.33  0.78  1.0
  Hf  Hf2  1  0.25  0.33  0.57  1.0
  Hf  Hf3  1  0.25  0.33  0.12  1.0
  Hf  Hf4  1  0.25  0.33  0.9  1.0
  Bi  Bi0  1  0.0  0.0  0.0  1.0

data_Hf4Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   11.56
_cell_angle_alpha   97.77
_cell_angle_beta   97.77
_cell_angle_gamma   91.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf4Bi
_chemical_formula_sum   'Hf4 Bi1'
_cell_volume   118.7
_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  0.12  0.75  0.42  1.0
  Hf  Hf1  1  0.57  0.75  0.42  1.0
  Hf  Hf2  1  0.78  0.75  0.42  1.0
  Hf  Hf3  1  0.9  0.75  0.42  1.0
  Bi  Bi4  1  0.0  0.0  0.0  1.0

Hf Hf Hf Hf Bi