data_ZrPPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85
_cell_length_b   4.85
_cell_length_c   4.85
_cell_angle_alpha   134.72
_cell_angle_beta   122.62
_cell_angle_gamma   75.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPPd2
_chemical_formula_sum   'Zr1 P1 Pd2'
_cell_volume   66.43
_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  0.0  0.33  0.24  1.0
  P  P0  1  0.0  0.0  0.9  1.0
  Pd  Pd1  1  0.0  0.33  0.48  1.0
  Pd  Pd2  1  0.0  0.0  0.85  1.0

data_ZrPPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   4.66
_cell_length_c   4.85
_cell_angle_alpha   118.69
_cell_angle_beta   112.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPPd2
_chemical_formula_sum   'Zr1 P1 Pd2'
_cell_volume   66.43
_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  0.67  0.91  0.91  1.0
  P  P1  1  0.0  0.9  0.9  1.0
  Pd  Pd2  1  0.0  0.85  0.85  1.0
  Pd  Pd3  1  0.67  0.16  0.16  1.0

Zr P Pd Pd