data_PdRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   6.51
_cell_angle_alpha   104.06
_cell_angle_beta   104.06
_cell_angle_gamma   30.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdRu
_chemical_formula_sum   'Pd3 Ru3'
_cell_volume   87.93
_cell_formula_units_Z   3
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
  Pd  Pd0  1  0.51  0.0  0.7  1.0
  Pd  Pd1  1  0.16  0.0  0.1  1.0
  Pd  Pd2  1  0.3  0.0  0.23  1.0
  Ru  Ru3  1  0.41  0.0  0.27  1.0
  Ru  Ru4  1  0.57  0.0  0.94  1.0
  Ru  Ru5  1  0.66  0.0  0.9  1.0

data_PdRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   5.24
_cell_length_c   6.51
_cell_angle_alpha   104.06
_cell_angle_beta   90.0
_cell_angle_gamma   105.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PdRu
_chemical_formula_sum   'Pd3 Ru3'
_cell_volume   87.93
_cell_formula_units_Z   3
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
  Ru  Ru0  1  0.0  0.34  0.1  1.0
  Ru  Ru1  1  0.0  0.43  0.06  1.0
  Pd  Pd2  1  0.0  0.49  0.3  1.0
  Ru  Ru3  1  0.0  0.59  0.73  1.0
  Pd  Pd4  1  0.0  0.7  0.77  1.0
  Pd  Pd5  1  0.0  0.84  0.9  1.0

Pd Pd Pd Ru Ru Ru
Pd Pd Pd Ru Ru Ru 0 5 o o o 0 4 o o o 1 2 o o o 2 3 o o o 4 5 o o o 