data_V2ReSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.97
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   94.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2ReSb
_chemical_formula_sum   'V2 Re1 Sb1'
_cell_volume   64.4
_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  0.54  0.98  0.57  1.0
  V  V3  1  0.03  0.98  0.88  1.0
  Re  Re0  1  0.8  0.0  0.73  1.0
  Sb  Sb1  1  0.0  0.0  0.0  1.0

data_V2ReSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.97
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   94.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2ReSb
_chemical_formula_sum   'V2 Re1 Sb1'
_cell_volume   64.4
_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  0.03  0.98  0.88  1.0
  V  V1  1  0.54  0.98  0.57  1.0
  Re  Re2  1  0.8  0.0  0.73  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

V V Re Sb
V V Re Sb 0 2 o + o 1 3 o + + 1 2 - + o 