data_[V4Si4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2909]
_cell_length_b [21.1496]
_cell_length_c [6.3786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [VSiS3]
_chemical_formula_sum '[V4 Si4 S12]'
_cell_volume [443.9659]
_cell_formula_units_Z [4]
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  0.1060  0.5478  1
  Si  Si1  4  0.0000  0.3568  0.4501  1
  S  S2  4  0.0000  0.1240  0.1952  1
  S  S3  4  0.0000  0.1951  0.7617  1
  S  S4  4  0.0000  0.4430  0.2511  1
]