data_[V16Cu8S32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [9.8719]
_cell_length_b [9.8719]
_cell_length_c [9.8719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [V2CuS4]
_chemical_formula_sum '[V16 Cu8 S32]'
_cell_volume [962.0589]
_cell_formula_units_Z [8]
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  16  0.1162  0.1162  0.6162  1.0
  Cu  Cu1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.2500  0.2500  0.2500  1.0
  S  S3  16  0.1220  0.1220  0.3780  1.0
  S  S4  16  0.1347  0.1347  0.8653  1.0
]