data_[Hf16Si4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Si  1.9000  1.1000  0.5400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.8570]
_cell_length_b [12.4622]
_cell_length_c [5.5275]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4SiBi]
_chemical_formula_sum '[Hf16 Si4 Bi4]'
_cell_volume [508.7667]
_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  0.0939  0.1840  0.0538  1.0
  Hf  Hf1  8  0.2122  0.4032  0.3611  1.0
  Si  Si2  4  0.0000  0.0029  0.7500  1.0
  Bi  Bi3  4  0.0000  0.3900  0.7500  1.0
]