data_SrPPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   133.37
_cell_angle_beta   133.37
_cell_angle_gamma   68.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPPd2
_chemical_formula_sum   'Sr1 P1 Pd2'
_cell_volume   76.99
_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
  Sr  Sr3  1  0.0  0.09  0.19  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.09  0.0  0.19  1.0
  Pd  Pd2  1  0.0  0.0  0.39  1.0

data_SrPPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.29
_cell_angle_alpha   113.31
_cell_angle_beta   113.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrPPd2
_chemical_formula_sum   'Sr1 P1 Pd2'
_cell_volume   76.99
_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
  Sr  Sr0  1  0.9  0.09  0.9  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pd  Pd2  1  0.61  0.0  0.61  1.0
  Pd  Pd3  1  0.81  0.0  0.9  1.0

Sr P Pd Pd
Sr P Pd Pd 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 2 3 o o o 