data_VRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   8.27
_cell_angle_alpha   104.19
_cell_angle_beta   104.19
_cell_angle_gamma   54.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRhBr2
_chemical_formula_sum   'V1 Rh1 Br2'
_cell_volume   89.16
_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  1.0  0.0  0.42  1.0
  Rh  Rh2  1  0.05  0.0  0.61  1.0
  Br  Br0  1  0.37  0.0  0.58  1.0
  Br  Br1  1  0.03  0.0  0.33  1.0

data_VRhBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   3.7
_cell_length_c   8.2
_cell_angle_alpha   78.2
_cell_angle_beta   78.0
_cell_angle_gamma   62.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRhBr2
_chemical_formula_sum   'V1 Rh1 Br2'
_cell_volume   89.16
_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  0.0  0.58  0.42  1.0
  Rh  Rh1  1  0.0  0.44  0.61  1.0
  Br  Br2  1  0.0  0.7  0.33  1.0
  Br  Br3  1  0.0  0.79  0.58  1.0

V Rh Br Br
V Rh Br Br 0 3 + o o 0 1 + o o 1 2 o o o 