data_[Hf20In8Bi8]
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]
_cell_length_a [14.1590]
_cell_length_b [7.5150]
_cell_length_c [8.2996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Hf5(InBi)2]
_chemical_formula_sum '[Hf20 In8 Bi8]'
_cell_volume [857.7111]
_cell_formula_units_Z [4]
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  4  0.0408  0.1007  0.3194  1
  Hf  Hf1  4  0.0687  0.6860  0.2308  1
  Hf  Hf2  4  0.1068  0.9580  0.0007  1
  Hf  Hf3  4  0.1890  0.2058  0.7438  1
  Hf  Hf4  4  0.2359  0.5155  0.5540  1
  In  In5  4  0.1820  0.3351  0.2287  1
  In  In6  2  0.0000  0.3213  0.0000  1
  In  In7  2  0.0000  0.4251  0.5000  1
  Bi  Bi8  4  0.1077  0.8408  0.6057  1
  Bi  Bi9  4  0.1740  0.5708  0.9257  1
]