data_VPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   2.69
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VPd
_chemical_formula_sum   'V2 Pd2'
_cell_volume   57.12
_cell_formula_units_Z   2
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  0.1  0.0  0.02  1.0
  V  V3  1  0.29  0.0  0.81  1.0
  Pd  Pd0  1  0.29  0.35  0.27  1.0
  Pd  Pd1  1  0.1  0.35  0.57  1.0

data_VPd
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.38
_cell_length_b   2.69
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   VPd
_chemical_formula_sum   'V2 Pd2'
_cell_volume   57.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.1  0.0  0.4  1.0
  Pd  Pd1  2  0.1  0.35  0.85  1.0

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