data_V2RePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   2.61
_cell_angle_alpha   100.3
_cell_angle_beta   100.3
_cell_angle_gamma   114.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2RePd
_chemical_formula_sum   'V2 Re1 Pd1'
_cell_volume   57.1
_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  0.93  0.87  0.23  1.0
  V  V3  1  0.93  0.13  0.23  1.0
  Re  Re1  1  0.72  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_V2RePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   114.83
_cell_angle_beta   100.3
_cell_angle_gamma   100.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2RePd
_chemical_formula_sum   'V2 Re1 Pd1'
_cell_volume   57.1
_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  0.23  0.93  0.13  1.0
  V  V1  1  0.23  0.93  0.87  1.0
  Re  Re2  1  0.0  0.72  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

V V Re Pd
V V Re Pd 0 3 + + o 1 2 o o o 1 3 + o o 