data_Sr2PdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   5.1
_cell_angle_alpha   110.28
_cell_angle_beta   110.28
_cell_angle_gamma   32.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2PdRu
_chemical_formula_sum   'Sr2 Pd1 Ru1'
_cell_volume   101.08
_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  0.05  0.0  0.55  1.0
  Sr  Sr3  1  0.71  0.0  0.37  1.0
  Pd  Pd0  1  0.59  0.0  0.41  1.0
  Ru  Ru1  1  0.22  0.0  0.56  1.0

data_Sr2PdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   5.1
_cell_length_c   6.28
_cell_angle_alpha   110.28
_cell_angle_beta   106.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2PdRu
_chemical_formula_sum   'Sr2 Pd1 Ru1'
_cell_volume   101.08
_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  0.37  0.71  1.0
  Sr  Sr1  1  0.0  0.55  0.05  1.0
  Pd  Pd2  1  0.0  0.41  0.59  1.0
  Ru  Ru3  1  0.0  0.56  0.22  1.0

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