data_MoPd2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   131.75
_cell_angle_beta   131.75
_cell_angle_gamma   70.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPd2Rh
_chemical_formula_sum   'Mo1 Pd2 Rh1'
_cell_volume   59.87
_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  0.96  0.0  0.95  1.0
  Pd  Pd2  1  0.0  0.0  0.91  1.0
  Rh  Rh3  1  0.0  0.96  0.95  1.0

data_MoPd2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   4.79
_cell_angle_alpha   114.12
_cell_angle_beta   114.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPd2Rh
_chemical_formula_sum   'Mo1 Pd2 Rh1'
_cell_volume   59.87
_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  0.91  0.91  0.91  1.0
  Pd  Pd2  1  0.95  1.0  1.0  1.0
  Rh  Rh3  1  1.0  0.95  1.0  1.0

Mo Pd Pd Rh
Mo Pd Pd Rh 0 1 - o - 0 3 o - - 0 2 o o - 1 2 + o o 2 3 o - o 