data_[Ta16V8Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  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 [9.2801]
_cell_length_b [5.3566]
_cell_length_c [14.0669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7325]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta4V2(AuC)3]
_chemical_formula_sum '[Ta16 V8 Au12 C12]'
_cell_volume [682.0618]
_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
[
  Ta  Ta0  8  0.1128  0.0832  0.5882  1
  Ta  Ta1  8  0.2206  0.9164  0.4119  1
  V  V2  8  0.0581  0.4164  0.4241  1
  Au  Au3  8  0.1566  0.4277  0.7498  1
  Au  Au4  4  0.0000  0.1024  0.2500  1
  C  C5  8  0.0824  0.2526  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]