data_ZnPdRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   135.18
_cell_angle_beta   135.18
_cell_angle_gamma   65.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPdRu2
_chemical_formula_sum   'Zn1 Pd1 Ru2'
_cell_volume   57.34
_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  0.12  1.0
  Ru  Ru1  1  0.0  0.87  0.06  1.0
  Ru  Ru2  1  0.87  0.0  0.06  1.0

data_ZnPdRu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   122.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnPdRu2
_chemical_formula_sum   'Zn2 Pd2 Ru4'
_cell_volume   114.69
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Ru  Ru1  4  0.37  0.43  0.8  1.0
  Pd  Pd2  2  0.38  0.5  0.88  1.0

Zn Pd Ru Ru
Zn Pd Ru Ru 0 1 o o o 1 3 - o o 1 2 o - o 