data_[V6S6]
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 [Pmna]
_cell_length_a [5.2983]
_cell_length_b [19.8790]
_cell_length_c [5.9339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [53]
_chemical_formula_structural [VS]
_chemical_formula_sum '[V6 S6]'
_cell_volume [624.9927]
_cell_formula_units_Z [6]
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  0.2500  0.0698  0.2500  1
  V  V1  2  0.0000  0.0000  0.5000  1
  S  S2  4  0.0000  0.1227  0.5061  1
  S  S3  2  0.0000  0.0000  0.0000  1
]