data_VRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   143.08
_cell_angle_beta   143.08
_cell_angle_gamma   53.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRhBr2
_chemical_formula_sum   'V1 Rh1 Br2'
_cell_volume   72.67
_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
  Rh  Rh2  1  0.0  0.86  0.63  1.0
  Br  Br0  1  0.86  0.0  0.63  1.0
  Br  Br1  1  0.0  0.0  0.25  1.0

data_VRhBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   5.87
_cell_angle_alpha   108.46
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRhBr2
_chemical_formula_sum   'V1 Rh1 Br2'
_cell_volume   72.67
_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  0.0  0.0  1.0
  Rh  Rh1  1  0.77  0.63  0.77  1.0
  Br  Br2  1  0.25  0.25  0.25  1.0
  Br  Br3  1  0.63  0.77  0.77  1.0

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