data_ZrPPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   4.08
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   106.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPPd2
_chemical_formula_sum   'Zr1 P1 Pd2'
_cell_volume   67.81
_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
  Zr  Zr3  1  0.91  0.0  0.51  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.55  0.04  0.16  1.0
  Pd  Pd2  1  0.28  0.04  0.86  1.0

data_ZrPPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.08
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   106.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPPd2
_chemical_formula_sum   'Zr1 P1 Pd2'
_cell_volume   67.81
_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
  Zr  Zr0  1  0.91  0.0  0.51  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.28  0.04  0.86  1.0
  Pd  Pd3  1  0.55  0.04  0.16  1.0

Zr P Pd Pd
Zr P Pd Pd 0 2 o o o 0 3 + o o 1 3 o o - 1 2 o o o 1 2 - o o 2 3 o o - 