data_Sr2IrPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   5.24
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2IrPd
_chemical_formula_sum   'Sr2 Ir1 Pd1'
_cell_volume   103.19
_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  Sr2  1  0.63  0.62  0.41  1.0
  Sr  Sr3  1  0.0  0.0  0.17  1.0
  Ir  Ir0  1  0.63  0.62  0.39  1.0
  Pd  Pd1  1  0.0  0.0  0.14  1.0

data_Sr2IrPd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.24
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2IrPd
_chemical_formula_sum   'Sr2 Ir1 Pd1'
_cell_volume   103.19
_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  0.0  0.0  0.17  1.0
  Sr  Sr1  1  0.63  0.62  0.41  1.0
  Pd  Pd2  1  0.0  0.0  0.14  1.0
  Ir  Ir3  1  0.63  0.62  0.39  1.0

Sr Sr Ir Pd
Sr Sr Ir Pd 0 2 o o o 1 3 o o o 