data_[V4Sb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.3868]
_cell_length_b [3.5056]
_cell_length_c [13.9220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [VSbS3]
_chemical_formula_sum '[V4 Sb4 S12]'
_cell_volume [409.3216]
_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  0.1166  0.2500  0.0394  1.0
  Sb  Sb1  4  0.0245  0.2500  0.6502  1.0
  S  S2  4  0.0212  0.2500  0.8840  1.0
  S  S3  4  0.1809  0.2500  0.4934  1.0
  S  S4  4  0.2278  0.7500  0.6942  1.0
]