data_Zn2PdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   30.35
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PdRu
_chemical_formula_sum   'Zn2 Pd1 Ru1'
_cell_volume   57.19
_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  Zn2  1  0.13  0.0  0.77  1.0
  Zn  Zn3  1  0.0  0.0  0.26  1.0
  Pd  Pd0  1  0.13  0.0  0.18  1.0
  Ru  Ru1  1  0.0  0.0  0.85  1.0

data_Zn2PdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.25
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   105.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2PdRu
_chemical_formula_sum   'Zn2 Pd1 Ru1'
_cell_volume   57.19
_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  0.23  0.13  0.23  1.0
  Zn  Zn1  1  0.74  0.0  0.74  1.0
  Ru  Ru2  1  0.15  0.0  0.15  1.0
  Pd  Pd3  1  0.82  0.13  0.82  1.0

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