data_FeSiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   3.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiPb2
_chemical_formula_sum   'Fe1 Si1 Pb2'
_cell_volume   90.05
_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  0.51  0.51  0.0  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.51  0.0  0.79  1.0
  Pb  Pb2  1  0.0  0.51  0.79  1.0

data_FeSiPb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.09
_cell_length_b   7.09
_cell_length_c   3.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeSiPb2
_chemical_formula_sum   'Fe2 Si2 Pb4'
_cell_volume   180.09
_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  0.01  0.5  -0.0  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Pb  Pb2  4  0.25  0.25  0.79  1.0

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