data_VWBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.06
_cell_length_b   9.06
_cell_length_c   9.06
_cell_angle_alpha   19.4
_cell_angle_beta   19.4
_cell_angle_gamma   19.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VWBr2
_chemical_formula_sum   'V1 W1 Br2'
_cell_volume   71.77
_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  0.0  1.0
  W  W3  1  0.0  0.0  0.33  1.0
  Br  Br0  1  0.0  0.0  0.62  1.0
  Br  Br1  1  0.0  0.0  0.05  1.0

data_VWBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   3.05
_cell_length_c   9.06
_cell_angle_alpha   90.0
_cell_angle_beta   101.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   VWBr2
_chemical_formula_sum   'V2 W2 Br4'
_cell_volume   143.55
_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
  W  W1  2  0.0  0.0  0.67  1.0
  Br  Br2  2  -0.0  0.0  0.95  1.0
  Br  Br3  2  -0.0  0.0  0.38  1.0

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