data_VBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   3.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBrCl2
_chemical_formula_sum   'V1 Br1 Cl2'
_cell_volume   83.33
_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  V3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.21  0.0  0.0  1.0
  Cl  Cl1  1  0.61  0.37  0.98  1.0
  Cl  Cl2  1  0.61  0.63  0.98  1.0

data_VBrCl2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.97
_cell_length_b   4.58
_cell_length_c   4.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   VBrCl2
_chemical_formula_sum   'V1 Br1 Cl2'
_cell_volume   83.34
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.0  1.0
  Br  Br1  1  0.0  0.0  0.21  1.0
  Cl  Cl2  2  0.98  0.37  0.61  1.0

V Br Cl Cl
V Br Cl Cl 0 1 o o o 2 3 o o o 