data_ZnPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   149.48
_cell_angle_beta   131.79
_cell_angle_gamma   58.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPdRu2
_chemical_formula_sum   'Zn1 Pd1 Ru2'
_cell_volume   57.7
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.68  1.0
  Ru  Ru1  1  0.41  0.0  0.13  1.0
  Ru  Ru2  1  0.0  0.19  0.55  1.0

data_ZnPdRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.37
_cell_length_c   5.35
_cell_angle_alpha   114.11
_cell_angle_beta   105.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPdRu2
_chemical_formula_sum   'Zn1 Pd1 Ru2'
_cell_volume   57.7
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.28  0.87  0.28  1.0
  Pd  Pd2  1  0.32  0.32  0.32  1.0
  Ru  Ru3  1  0.45  0.64  0.64  1.0

Zn Pd Ru Ru