data_[V1Br1Cl3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.9682]
_cell_length_b [18.5025]
_cell_length_c [6.8953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3288]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [VBrCl3]
_chemical_formula_sum '[V1 Br1 Cl3]'
_cell_volume [688.2305]
_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  0.3002  0.5000  0.3534  1
  Br  Br1  1  0.9298  0.5000  0.0528  1
  Cl  Cl2  2  0.5080  0.4053  0.3535  1
  Cl  Cl3  1  0.2257  0.5000  0.6317  1
]