data_[Hf16V8Bi12C12]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.1264]
_cell_length_b [5.8736]
_cell_length_c [14.4010]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5950]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4V2(BiC)3]
_chemical_formula_sum '[Hf16 V8 Bi12 C12]'
_cell_volume [832.5459]
_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  0.1109  0.0845  0.5822  1
  Hf  Hf1  8  0.2229  0.0824  0.9178  1
  V  V2  8  0.0598  0.4191  0.4368  1
  Bi  Bi3  8  0.1595  0.4234  0.7500  1
  Bi  Bi4  4  0.0000  0.0982  0.2500  1
  C  C5  8  0.0830  0.2517  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]