data_V2CuPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   3.95
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuPd
_chemical_formula_sum   'V2 Cu1 Pd1'
_cell_volume   53.86
_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  0.31  0.98  0.93  1.0
  V  V3  1  0.31  0.98  0.26  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.0  0.0  0.59  1.0

data_V2CuPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.63
_cell_length_b   3.95
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuPd
_chemical_formula_sum   'V2 Cu1 Pd1'
_cell_volume   53.86
_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  0.31  0.98  0.26  1.0
  V  V1  1  0.31  0.98  0.93  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.59  1.0

V V Cu Pd
V V Cu Pd 0 2 o + + 0 1 o o + 0 3 o + o 1 2 o + o 1 3 o + o 2 3 o o - 