data_[Ta8W16Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  W  2.3600  1.3500  0.7667
  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 [9.4282]
_cell_length_b [5.4500]
_cell_length_c [13.8742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2W4(AuC)3]
_chemical_formula_sum '[Ta8 W16 Au12 C12]'
_cell_volume [694.2002]
_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  0.0530  0.5838  0.9081  1
  W  W1  8  0.1103  0.0827  0.5796  1
  W  W2  8  0.2231  0.0838  0.9204  1
  Au  Au3  8  0.1839  0.4000  0.7495  1
  Au  Au4  4  0.0000  0.0477  0.2500  1
  C  C5  8  0.0809  0.2568  0.9999  1
  C  C6  4  0.2500  0.2500  0.5000  1
]