data_MoPd2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   130.78
_cell_angle_beta   130.78
_cell_angle_gamma   72.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPd2Ru
_chemical_formula_sum   'Mo1 Pd2 Ru1'
_cell_volume   59.83
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.98  0.0  0.92  1.0
  Pd  Pd2  1  0.0  0.0  0.83  1.0
  Ru  Ru3  1  0.0  0.98  0.92  1.0

data_MoPd2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   4.74
_cell_angle_alpha   114.61
_cell_angle_beta   114.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPd2Ru
_chemical_formula_sum   'Mo1 Pd2 Ru1'
_cell_volume   59.83
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Pd  Pd1  1  0.83  0.83  0.83  1.0
  Pd  Pd2  1  0.92  0.94  0.94  1.0
  Ru  Ru3  1  0.94  0.92  0.94  1.0

Mo Pd Pd Ru