data_VBr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   6.7
_cell_angle_alpha   151.68
_cell_angle_beta   131.0
_cell_angle_gamma   57.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBr2Cl
_chemical_formula_sum   'V1 Br2 Cl1'
_cell_volume   107.15
_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  0.78  0.9  1.0
  Br  Br0  1  0.0  0.0  0.69  1.0
  Br  Br1  1  0.64  0.0  0.88  1.0
  Cl  Cl2  1  0.0  0.0  0.03  1.0

data_VBr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   5.56
_cell_length_c   6.7
_cell_angle_alpha   114.5
_cell_angle_beta   104.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VBr2Cl
_chemical_formula_sum   'V1 Br2 Cl1'
_cell_volume   107.15
_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  0.1  0.88  0.88  1.0
  Br  Br1  1  0.31  0.31  0.31  1.0
  Br  Br2  1  0.76  0.12  0.76  1.0
  Cl  Cl3  1  0.97  0.97  0.97  1.0

V Br Br Cl