data_[Zr16V8Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [9.6936]
_cell_length_b [5.5931]
_cell_length_c [14.2593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Zr4V2(AuC)3]
_chemical_formula_sum '[Zr16 V8 Au12 C12]'
_cell_volume [752.8239]
_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
[
  Zr  Zr0  8  0.1161  0.0755  0.0962  1
  Zr  Zr1  8  0.2137  0.0866  0.4037  1
  V  V2  8  0.0653  0.4121  0.9328  1
  Au  Au3  8  0.1452  0.4368  0.2487  1
  Au  Au4  4  0.0000  0.1283  0.7500  1
  C  C5  8  0.0785  0.2640  0.5000  1
  C  C6  4  0.2500  0.2500  0.0000  1
]