data_V2NiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39
_cell_length_b   2.93
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   92.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiBr
_chemical_formula_sum   'V2 Ni1 Br1'
_cell_volume   66.47
_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  0.47  0.16  1.0
  V  V3  1  0.43  0.47  0.52  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.57  0.0  0.34  1.0

data_V2NiBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   3.39
_cell_length_c   6.69
_cell_angle_alpha   92.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2NiBr
_chemical_formula_sum   'V2 Ni1 Br1'
_cell_volume   66.47
_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  0.53  0.3  0.84  1.0
  V  V1  1  0.53  0.57  0.48  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.43  0.66  1.0

V V Ni Br