data_[Hf8Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.9829]
_cell_length_b [3.8674]
_cell_length_c [7.3653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Bi]
_chemical_formula_sum '[Hf8 Bi4]'
_cell_volume [286.1491]
_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  0.0171  0.5000  0.2700  1.0
  Hf  Hf1  4  0.1506  0.0000  0.0532  1.0
  Bi  Bi2  4  0.1700  0.0000  0.6307  1.0
]