data_[V14S14]
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 [P1]
_cell_length_a [6.0917]
_cell_length_b [19.3868]
_cell_length_c [19.3868]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VS]
_chemical_formula_sum '[V14 S14]'
_cell_volume [1982.8117]
_cell_formula_units_Z [14]
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  1  0.1263  0.6120  0.0397  1
  V  V1  1  0.1317  0.3533  0.8658  1
  V  V2  1  0.3430  0.4729  0.8737  1
  V  V3  1  0.3950  0.6177  0.1483  1
  V  V4  1  0.4340  0.3683  0.9727  1
  V  V5  1  0.5143  0.6058  0.9691  1
  V  V6  1  0.5535  0.4875  0.1171  1
  V  V7  1  0.6459  0.3481  0.8605  1
  V  V8  1  0.7473  0.5838  0.0644  1
  V  V9  1  0.8623  0.4764  0.8771  1
  V  V10  1  0.9366  0.6141  0.1836  1
  V  V11  1  0.9555  0.6041  0.9167  1
  V  V12  1  0.9744  0.3159  0.9565  1
  V  V13  1  0.9921  0.4736  0.0981  1
  S  S14  1  0.1091  0.4993  0.7979  1
  S  S15  1  0.1509  0.7136  0.1767  1
  S  S16  1  0.2558  0.6927  0.9847  1
  S  S17  1  0.2585  0.5431  0.2007  1
  S  S18  1  0.2723  0.2609  0.9697  1
  S  S19  1  0.3963  0.3366  0.7714  1
  S  S20  1  0.3991  0.5121  0.0147  1
  S  S21  1  0.6211  0.5471  0.8392  1
  S  S22  1  0.6706  0.7036  0.1952  1
  S  S23  1  0.7098  0.3617  0.0591  1
  S  S24  1  0.7964  0.5219  0.2186  1
  S  S25  1  0.7964  0.6900  0.0403  1
  S  S26  1  0.8743  0.4381  0.9675  1
  S  S27  1  0.8895  0.2458  0.8207  1
]