data_[V6S2Br14]
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 [Cm]
_cell_length_a [12.4994]
_cell_length_b [7.2115]
_cell_length_c [9.1031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [V3SBr7]
_chemical_formula_sum '[V6 S2 Br14]'
_cell_volume [602.6761]
_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  0.0594  0.2777  0.3841  1.0
  V  V1  2  0.3371  0.0000  0.3838  1.0
  S  S2  2  0.3786  0.0000  0.1680  1.0
  Br  Br3  4  0.0232  0.2571  0.6246  1.0
  Br  Br4  4  0.1346  0.2490  0.1809  1.0
  Br  Br5  2  0.2561  0.0000  0.5942  1.0
  Br  Br6  2  0.2655  0.5000  0.6244  1.0
  Br  Br7  2  0.3864  0.5000  0.1817  1.0
]