data_[V8Se8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.9790]
_cell_length_b [14.4091]
_cell_length_c [12.6171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [VSeBr3]
_chemical_formula_sum '[V8 Se8 Br24]'
_cell_volume [1262.1073]
_cell_formula_units_Z [8]
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  8  0.0710  0.0596  0.6456  1
  Se  Se1  8  0.1488  0.1824  0.7982  1
  Br  Br2  8  0.1291  0.0919  0.0361  1
  Br  Br3  8  0.1518  0.3722  0.4226  1
  Br  Br4  8  0.2331  0.0352  0.2965  1
]