data_[Hf24In8Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  In  1.7800  1.5500  0.9400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3507]
_cell_length_b [8.9064]
_cell_length_c [10.0592]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.8779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf3InBi]
_chemical_formula_sum '[Hf24 In8 Bi8]'
_cell_volume [942.1672]
_cell_formula_units_Z [8]
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  8  0.1089  0.6683  0.5720  1.0
  Hf  Hf1  8  0.1119  0.9017  0.0740  1.0
  Hf  Hf2  8  0.2385  0.1126  0.4006  1.0
  In  In3  4  0.0000  0.0852  0.7500  1.0
  In  In4  4  0.0000  0.2952  0.2500  1.0
  Bi  Bi5  8  0.1658  0.3854  0.7999  1.0
]