data_VInBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.62
_cell_length_b   3.62
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   118.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VInBr2
_chemical_formula_sum   'V1 In1 Br2'
_cell_volume   111.89
_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
  In  In2  1  0.0  0.0  0.84  1.0
  Br  Br0  1  0.86  0.0  0.79  1.0
  Br  Br1  1  0.86  0.0  0.88  1.0

data_VInBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.62
_cell_length_b   6.39
_cell_length_c   9.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VInBr2
_chemical_formula_sum   'V2 In2 Br4'
_cell_volume   223.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.84  1.0
  Br  Br2  2  0.36  0.5  0.79  1.0
  Br  Br3  2  0.36  0.5  0.88  1.0

V In Br Br
V In Br Br 0 3 - o - 1 2 - o o 1 3 - o o 