data_[V2S4Br4]
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 [6.4471]
_cell_length_b [6.4508]
_cell_length_c [7.9826]
_cell_angle_alpha [69.8412]
_cell_angle_beta [66.4037]
_cell_angle_gamma [61.0395]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V(SBr)2]
_chemical_formula_sum '[V2 S4 Br4]'
_cell_volume [261.4381]
_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  2  0.1244  0.1241  0.0001  1.0
  S  S1  2  0.1179  0.0501  0.7301  1.0
  S  S2  2  0.3068  0.7618  0.8894  1.0
  Br  Br3  2  0.0327  0.4281  0.2070  1.0
  Br  Br4  2  0.4435  0.8383  0.2070  1.0
]