data_VAgPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   3.96
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAgPd2
_chemical_formula_sum   'V1 Ag1 Pd2'
_cell_volume   62.46
_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  V3  1  0.0  0.0  0.64  1.0
  Ag  Ag0  1  0.42  0.98  0.18  1.0
  Pd  Pd1  1  0.0  0.0  0.02  1.0
  Pd  Pd2  1  0.42  0.98  0.48  1.0

data_VAgPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   3.96
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VAgPd2
_chemical_formula_sum   'V1 Ag1 Pd2'
_cell_volume   62.46
_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  0.0  0.0  0.64  1.0
  Ag  Ag1  1  0.42  0.98  0.18  1.0
  Pd  Pd2  1  0.0  0.0  0.02  1.0
  Pd  Pd3  1  0.42  0.98  0.48  1.0

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