data_[V10S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2958]
_cell_length_b [6.6195]
_cell_length_c [7.8990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [133.8048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V5S8]
_chemical_formula_sum '[V10 S16]'
_cell_volume [426.2588]
_cell_formula_units_Z [2]
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  0.2953  0.5000  1.0
  V  V1  4  0.2240  0.5000  0.4910  1.0
  V  V2  2  0.0000  0.0000  0.0000  1.0
  S  S3  8  0.2113  0.2493  0.2478  1.0
  S  S4  4  0.0149  0.0000  0.7083  1.0
  S  S5  4  0.0570  0.5000  0.7827  1.0
]