data_[V1H1Br1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4326]
_cell_length_b [7.4830]
_cell_length_c [7.7952]
_cell_angle_alpha [116.1183]
_cell_angle_beta [96.9076]
_cell_angle_gamma [109.0987]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VHBrCl6]
_chemical_formula_sum '[V1 H1 Br1 Cl6]'
_cell_volume [302.5215]
_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  0.9113  0.2595  0.5770  1.0
  H  H1  1  0.2126  0.8110  0.3049  1.0
  Br  Br2  1  0.9459  0.0293  0.9775  1.0
  Cl  Cl3  1  0.2335  0.5387  0.7159  1.0
  Cl  Cl4  1  0.3434  0.7113  0.3062  1.0
  Cl  Cl5  1  0.6930  0.3057  0.3770  1.0
  Cl  Cl6  1  0.7199  0.3272  0.7936  1.0
  Cl  Cl7  1  0.9656  0.0058  0.2861  1.0
  Cl  Cl8  1  0.9744  0.0112  0.6617  1.0
]