data_[V4B4S14]
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/m]
_cell_length_a [7.3350]
_cell_length_b [9.4688]
_cell_length_c [5.5790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2B2S7]
_chemical_formula_sum '[V4 B4 S14]'
_cell_volume [376.6403]
_cell_formula_units_Z [2]
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  0.3446  0.0000  1
  B  B1  4  0.2126  0.0000  0.3678  1
  S  S2  8  0.2478  0.1698  0.2075  1
  S  S3  4  0.1270  0.5000  0.2895  1
  S  S4  2  0.0000  0.0000  0.5000  1
]