data_V2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56
_cell_length_b   8.56
_cell_length_c   8.56
_cell_angle_alpha   19.54
_cell_angle_beta   19.54
_cell_angle_gamma   19.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PtBr
_chemical_formula_sum   'V2 Pt1 Br1'
_cell_volume   61.42
_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  0.0  0.0  0.33  1.0
  V  V3  1  0.0  0.0  0.85  1.0
  Pt  Pt1  1  0.0  0.0  0.59  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_V2PtBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.03
_cell_length_b   2.91
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   101.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   V2PtBr
_chemical_formula_sum   'V4 Pt2 Br2'
_cell_volume   122.84
_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  0.15  1.0
  V  V1  2  -0.0  0.0  0.67  1.0
  Pt  Pt2  2  -0.0  0.0  0.41  1.0
  Br  Br3  2  -0.0  0.0  0.0  1.0

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