data_VReBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   120.81
_cell_angle_beta   120.81
_cell_angle_gamma   88.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VReBr2
_chemical_formula_sum   'V1 Re1 Br2'
_cell_volume   63.74
_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
  Re  Re2  1  0.0  0.0  0.22  1.0
  Br  Br0  1  0.22  0.0  0.61  1.0
  Br  Br1  1  0.0  0.22  0.61  1.0

data_VReBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   134.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VReBr2
_chemical_formula_sum   'V2 Re2 Br4'
_cell_volume   127.48
_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
  Re  Re1  2  0.28  0.5  0.78  1.0
  Br  Br2  4  0.0  0.39  0.61  1.0

V Re Br Br