data_[Hf16V4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.2305]
_cell_length_b [12.3700]
_cell_length_c [5.5781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4VBi]
_chemical_formula_sum '[Hf16 V4 Bi4]'
_cell_volume [533.2226]
_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  0.1066  0.1773  0.5649  1.0
  Hf  Hf1  8  0.2245  0.4156  0.8622  1.0
  V  V2  4  0.0000  0.0005  0.2500  1.0
  Bi  Bi3  4  0.0000  0.3822  0.2500  1.0
]