data_Mo2PdRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2PdRh
_chemical_formula_sum   'Mo2 Pd1 Rh1'
_cell_volume   60.49
_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  0.36  0.36  0.98  1.0
  Mo  Mo1  1  0.36  0.36  0.15  1.0
  Pd  Pd2  1  0.0  0.0  0.06  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Mo2PdRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   8.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mo2PdRh
_chemical_formula_sum   'Mo4 Pd2 Rh2'
_cell_volume   120.99
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.36  0.0  0.15  1.0
  Mo  Mo1  2  0.36  0.0  0.98  1.0
  Pd  Pd2  2  0.0  0.0  0.06  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

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