data_[V1S4Br6]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3032]
_cell_length_b [7.5906]
_cell_length_c [8.1191]
_cell_angle_alpha [64.0544]
_cell_angle_beta [64.7006]
_cell_angle_gamma [61.5985]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V(S2Br3)2]
_chemical_formula_sum '[V1 S4 Br6]'
_cell_volume [342.0590]
_cell_formula_units_Z [1]
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  0.0000  0.0000  0.0000  1.0
  S  S1  2  0.3728  0.3951  0.5088  1.0
  S  S2  2  0.4467  0.6587  0.3276  1.0
  Br  Br3  2  0.0225  0.1094  0.2253  1.0
  Br  Br4  2  0.1531  0.6184  0.1796  1.0
  Br  Br5  2  0.3843  0.9817  0.8057  1.0
]