data_[V2I2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8836]
_cell_length_b [3.9860]
_cell_length_c [7.1630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5222]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VIBr]
_chemical_formula_sum '[V2 I2 Br2]'
_cell_volume [196.4674]
_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  0.2419  0.2500  0.0007  1
  I  I1  2  0.4105  0.7500  0.7769  1
  Br  Br2  2  0.0889  0.7500  0.1968  1
]