data_VRuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.32
_cell_length_c   3.12
_cell_angle_alpha   81.07
_cell_angle_beta   71.04
_cell_angle_gamma   27.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRuBr
_chemical_formula_sum   'V1 Ru1 Br1'
_cell_volume   54.95
_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  V2  1  0.75  0.59  0.85  1.0
  Ru  Ru1  1  0.75  0.59  0.48  1.0
  Br  Br0  1  0.75  0.59  0.94  1.0

data_VRuBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.5
_cell_length_b   12.14
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   124.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VRuBr
_chemical_formula_sum   'V2 Ru2 Br2'
_cell_volume   109.9
_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  0.09  0.5  0.4  1.0
  Ru  Ru1  2  0.09  0.5  0.77  1.0
  Br  Br2  2  0.09  0.5  0.31  1.0

V Ru Br
V Ru Br 0 2 o o o 0 1 o o o 