data_Fe2RhPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2RhPb
_chemical_formula_sum   'Fe2 Rh1 Pb1'
_cell_volume   62.78
_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
  Fe  Fe0  1  0.58  0.58  0.11  1.0
  Fe  Fe1  1  0.0  0.0  0.32  1.0
  Rh  Rh3  1  0.0  0.0  0.93  1.0
  Pb  Pb2  1  0.58  0.58  0.11  1.0

data_Fe2RhPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2RhPb
_chemical_formula_sum   'Fe4 Rh2 Pb2'
_cell_volume   125.56
_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
  Fe  Fe0  2  0.0  0.0  0.32  1.0
  Fe  Fe1  2  0.08  0.5  0.11  1.0
  Rh  Rh2  2  0.0  0.0  0.93  1.0
  Pb  Pb3  2  0.08  0.5  0.11  1.0

Fe Fe Rh Pb 0 3 o o o 0 1 + + o 0 1 + o o 0 1 o + o 0 1 o o o 0 2 + + - 0 2 + o - 0 2 o + - 0 2 o o - 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 1 2 o o - 2 3 - - + 2 3 - o + 2 3 o - + 2 3 o o + 