data_[V9S11]
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 [P6]
_cell_length_a [8.7947]
_cell_length_b [8.7947]
_cell_length_c [18.2087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [V9S11]
_chemical_formula_sum '[V9 S11]'
_cell_volume [1219.7024]
_cell_formula_units_Z [1]
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  6  0.0946  0.3679  0.5222  1
  V  V1  2  0.3333  0.6667  0.4382  1
  V  V2  1  0.0000  0.0000  0.4936  1
  S  S3  6  0.1047  0.7172  0.4281  1
  S  S4  3  0.0000  0.5000  0.6043  1
  S  S5  2  0.3333  0.6667  0.5577  1
]