data_[V4B8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  B  2.0400  0.8500  0.4100
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.8730]
_cell_length_b [9.7738]
_cell_length_c [5.8527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [V(BS3)2]
_chemical_formula_sum '[V4 B8 S24]'
_cell_volume [613.9009]
_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  0.1247  0.2500  1
  B  B1  8  0.2076  0.4339  0.3493  1
  S  S2  8  0.1129  0.0623  0.6048  1
  S  S3  8  0.1399  0.4277  0.6351  1
  S  S4  8  0.1534  0.2632  0.1910  1
]