data_[Hf4Nb4Bi4]
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 [C2/m]
_cell_length_a [10.9046]
_cell_length_b [3.6135]
_cell_length_c [7.6652]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6876]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfNbBi]
_chemical_formula_sum '[Hf4 Nb4 Bi4]'
_cell_volume [286.1173]
_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  0.0811  0.0000  0.7128  1.0
  Nb  Nb1  4  0.1403  0.5000  0.4466  1.0
  Bi  Bi2  4  0.1626  0.0000  0.1524  1.0
]