data_SiBiPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   6.84
_cell_angle_alpha   147.96
_cell_angle_beta   137.04
_cell_angle_gamma   54.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBiPb2
_chemical_formula_sum   'Si1 Bi1 Pb2'
_cell_volume   115.03
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.08  1.0
  Pb  Pb1  1  0.89  0.0  0.4  1.0
  Pb  Pb2  1  0.0  0.51  0.68  1.0

data_SiBiPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.78
_cell_length_b   5.01
_cell_length_c   6.84
_cell_angle_alpha   111.48
_cell_angle_beta   106.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBiPb2
_chemical_formula_sum   'Si1 Bi1 Pb2'
_cell_volume   115.03
_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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.92  0.92  0.92  1.0
  Pb  Pb2  1  0.32  0.82  0.82  1.0
  Pb  Pb3  1  0.49  0.6  0.49  1.0

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