data_V2SbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.49
_cell_length_c   6.94
_cell_angle_alpha   90.0
_cell_angle_beta   94.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2SbBr
_chemical_formula_sum   'V2 Sb1 Br1'
_cell_volume   84.55
_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  0.7  0.74  0.87  1.0
  V  V3  1  0.29  0.74  0.05  1.0
  Sb  Sb1  1  0.49  0.0  0.46  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_V2SbBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.5
_cell_length_c   6.94
_cell_angle_alpha   94.25
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2SbBr
_chemical_formula_sum   'V2 Sb1 Br1'
_cell_volume   84.55
_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  0.26  0.3  0.13  1.0
  V  V1  1  0.26  0.71  0.95  1.0
  Sb  Sb2  1  0.0  0.51  0.54  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

V V Sb Br
V V Sb Br 0 3 + + + 0 2 o + o 0 2 o o o 1 3 o + o 1 2 o + o 1 2 o o o 2 3 o o o 2 3 + o o 2 2 + o o 2 2 o + o 