data_Sr2PdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   3.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2PdRu
_chemical_formula_sum   'Sr2 Pd1 Ru1'
_cell_volume   99.84
_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  0.82  0.96  0.75  1.0
  Sr  Sr3  1  0.82  0.04  0.75  1.0
  Pd  Pd0  1  0.63  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0

data_Sr2PdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   94.5
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2PdRu
_chemical_formula_sum   'Sr2 Pd1 Ru1'
_cell_volume   99.84
_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  0.75  0.82  0.04  1.0
  Sr  Sr1  1  0.75  0.82  0.96  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0
  Pd  Pd3  1  0.0  0.63  0.0  1.0

Sr Sr Pd Ru
Sr Sr Pd Ru 0 1 o + o 0 2 o + + 0 3 + + + 1 2 o o + 1 3 + o + 