data_Sr2Pd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.7
_cell_angle_alpha   117.6
_cell_angle_beta   117.6
_cell_angle_gamma   94.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2Pd2Ru
_chemical_formula_sum   'Sr2 Pd2 Ru1'
_cell_volume   135.2
_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  0.95  0.94  1.0
  Sr  Sr4  1  0.95  0.0  0.94  1.0
  Pd  Pd0  1  0.0  0.0  0.18  1.0
  Pd  Pd1  1  0.0  0.0  0.58  1.0
  Ru  Ru2  1  0.0  0.0  0.0  1.0

data_Sr2Pd2Ru
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.76
_cell_length_b   8.35
_cell_length_c   5.7
_cell_angle_alpha   90.0
_cell_angle_beta   132.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2Pd2Ru
_chemical_formula_sum   'Sr4 Pd4 Ru2'
_cell_volume   270.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.04  0.02  0.06  1.0
  Ru  Ru1  2  0.0  0.0  0.0  1.0
  Pd  Pd2  2  0.32  0.5  0.82  1.0
  Pd  Pd3  2  0.42  0.0  0.42  1.0

Sr Sr Pd Pd Ru