data_CuPdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   2.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPdRu
_chemical_formula_sum   'Cu1 Pd1 Ru1'
_cell_volume   42.42
_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
  Cu  Cu0  1  0.0  0.0  0.31  1.0
  Pd  Pd1  1  0.16  0.25  0.53  1.0
  Ru  Ru2  1  0.0  0.5  0.78  1.0

data_CuPdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   4.33
_cell_length_c   4.33
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuPdRu
_chemical_formula_sum   'Cu1 Pd1 Ru1'
_cell_volume   42.42
_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
  Cu  Cu0  1  0.31  0.0  0.0  1.0
  Pd  Pd1  1  0.53  0.16  0.25  1.0
  Ru  Ru2  1  0.78  0.0  0.5  1.0

Cu Pd Ru
Cu Pd Ru 0 1 o o o 1 2 o o o 