data_[V4Au4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.6131]
_cell_length_b [11.1980]
_cell_length_c [5.8814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3548]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [VAuS4]
_chemical_formula_sum '[V4 Au4 S16]'
_cell_volume [535.1998]
_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  4  0.0000  0.0001  0.7500  1
  Au  Au1  4  0.0000  0.4984  0.7500  1
  S  S2  8  0.0454  0.1634  0.5216  1
  S  S3  8  0.1970  0.0968  0.0960  1
]