data_[Hf8V16Au12C12]
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
  Au  2.5400  1.3500  1.0700
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3146]
_cell_length_b [5.3768]
_cell_length_c [13.6038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3617]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf2V4(AuC)3]
_chemical_formula_sum '[Hf8 V16 Au12 C12]'
_cell_volume [662.8800]
_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  0.0439  0.4196  0.8937  1
  V  V1  8  0.1083  0.0902  0.0731  1
  V  V2  8  0.2286  0.0800  0.4268  1
  Au  Au3  8  0.2080  0.3772  0.2512  1
  Au  Au4  4  0.0000  0.0005  0.7500  1
  C  C5  8  0.0844  0.2467  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]