data_Mo2RhPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   3.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2RhPb
_chemical_formula_sum   'Mo2 Rh1 Pb1'
_cell_volume   69.59
_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  0.41  0.5  1.0
  Mo  Mo1  1  0.41  0.0  0.5  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0
  Pb  Pb2  1  0.41  0.41  0.0  1.0

data_Mo2RhPb
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   3.0
_cell_length_b   6.82
_cell_length_c   6.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   Mo2RhPb
_chemical_formula_sum   'Mo4 Rh2 Pb2'
_cell_volume   139.18
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  4  0.5  0.2  0.2  1.0
  Rh  Rh1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  2  0.0  0.0  0.41  1.0

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