data_FeSi2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87
_cell_length_b   4.06
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Pb
_chemical_formula_sum   'Fe1 Si2 Pb1'
_cell_volume   73.12
_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  0.0  0.0  0.0  1.0
  Si  Si2  1  0.48  0.03  0.91  1.0
  Si  Si3  1  0.96  0.03  0.75  1.0
  Pb  Pb1  1  0.22  0.0  0.33  1.0

data_FeSi2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.06
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   106.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSi2Pb
_chemical_formula_sum   'Fe1 Si2 Pb1'
_cell_volume   73.12
_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  0.0  0.0  0.0  1.0
  Si  Si1  1  0.48  0.03  0.91  1.0
  Si  Si2  1  0.96  0.03  0.75  1.0
  Pb  Pb3  1  0.22  0.0  0.33  1.0

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