data_[Mo8W16Au12C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  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 [9.3540]
_cell_length_b [5.3996]
_cell_length_c [13.9006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Mo2W4(AuC)3]
_chemical_formula_sum '[Mo8 W16 Au12 C12]'
_cell_volume [684.3222]
_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
[
  Mo  Mo0  8  0.0515  0.4197  0.4170  1
  W  W1  8  0.1101  0.0905  0.5817  1
  W  W2  8  0.2262  0.0791  0.9185  1
  Au  Au3  8  0.1719  0.4126  0.7523  1
  Au  Au4  4  0.0000  0.0746  0.2500  1
  C  C5  8  0.0857  0.2442  1.0000  1
  C  C6  4  0.2500  0.2500  0.5000  1
]