data_SiPPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.3
_cell_length_b   6.93
_cell_length_c   3.39
_cell_angle_alpha   82.41
_cell_angle_beta   70.21
_cell_angle_gamma   27.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPPb
_chemical_formula_sum   'Si1 P1 Pb1'
_cell_volume   68.37
_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  Si2  1  0.76  0.89  0.52  1.0
  P  P0  1  0.76  0.89  0.41  1.0
  Pb  Pb1  1  0.76  0.89  0.48  1.0

data_SiPPb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.52
_cell_length_b   13.41
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   121.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiPPb
_chemical_formula_sum   'Si2 P2 Pb2'
_cell_volume   136.73
_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
  Si  Si0  2  0.26  0.5  0.29  1.0
  P  P1  2  0.26  0.5  0.17  1.0
  Pb  Pb2  2  0.26  0.5  0.24  1.0

Si P Pb