data_KPd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.78
_cell_length_c   3.0
_cell_angle_alpha   100.19
_cell_angle_beta   100.19
_cell_angle_gamma   114.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPd2Ru
_chemical_formula_sum   'K1 Pd2 Ru1'
_cell_volume   86.41
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.07  0.43  0.42  1.0
  Pd  Pd2  1  0.07  0.57  0.42  1.0
  Ru  Ru3  1  0.13  0.0  0.0  1.0

data_KPd2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   5.78
_cell_length_c   5.78
_cell_angle_alpha   114.54
_cell_angle_beta   100.19
_cell_angle_gamma   100.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KPd2Ru
_chemical_formula_sum   'K1 Pd2 Ru1'
_cell_volume   86.41
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.0  0.13  0.0  1.0
  Pd  Pd2  1  0.42  0.07  0.57  1.0
  Pd  Pd3  1  0.42  0.07  0.43  1.0

K Pd Pd Ru