data_[V8W16C12S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.6042]
_cell_length_b [5.5896]
_cell_length_c [11.8024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0160]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [V2W4(CS)3]
_chemical_formula_sum '[V8 W16 C12 S12]'
_cell_volume [605.8607]
_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
[
  V  V0  8  0.0540  0.3847  0.4158  1
  W  W1  8  0.1067  0.0580  0.6011  1
  W  W2  8  0.2038  0.0701  0.9077  1
  C  C3  8  0.0845  0.2747  0.9964  1
  C  C4  4  0.2500  0.2500  0.5000  1
  S  S5  8  0.1621  0.4091  0.7491  1
  S  S6  4  0.0000  0.1154  0.2500  1
]