data_[Hf24Nb8Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [8.8173]
_cell_length_b [8.9200]
_cell_length_c [10.4807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf6Nb2Bi]
_chemical_formula_sum '[Hf24 Nb8 Bi4]'
_cell_volume [824.3129]
_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  8  0.0000  0.2076  0.2507  1
  Hf  Hf1  8  0.2021  0.5000  0.1588  1
  Hf  Hf2  8  0.2046  0.6952  0.5000  1
  Nb  Nb3  4  0.0000  0.3325  0.0000  1
  Nb  Nb4  4  0.0000  0.5000  0.3674  1
  Bi  Bi5  2  0.0000  0.0000  0.0000  1
  Bi  Bi6  2  0.0000  0.0000  0.5000  1
]