data_SiGe2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.59
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   95.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGe2Pb
_chemical_formula_sum   'Si1 Ge2 Pb1'
_cell_volume   87.37
_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
  Si  Si3  1  0.14  0.0  0.63  1.0
  Ge  Ge0  1  0.84  0.8  0.63  1.0
  Ge  Ge1  1  0.57  0.0  0.35  1.0
  Pb  Pb2  1  0.84  0.8  0.43  1.0

data_SiGe2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.59
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   95.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiGe2Pb
_chemical_formula_sum   'Si1 Ge2 Pb1'
_cell_volume   87.37
_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
  Si  Si0  1  0.14  0.0  0.63  1.0
  Ge  Ge1  1  0.57  0.0  0.35  1.0
  Ge  Ge2  1  0.84  0.8  0.63  1.0
  Pb  Pb3  1  0.84  0.8  0.43  1.0

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