data_SiPbCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.62
_cell_angle_alpha   117.77
_cell_angle_beta   117.77
_cell_angle_gamma   36.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPbCl2
_chemical_formula_sum   'Si1 Pb1 Cl2'
_cell_volume   95.7
_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
  Pb  Pb2  1  0.08  0.0  0.45  1.0
  Cl  Cl0  1  0.07  0.0  0.91  1.0
  Cl  Cl1  1  0.08  0.0  0.99  1.0

data_SiPbCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.62
_cell_length_c   5.74
_cell_angle_alpha   117.77
_cell_angle_beta   108.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPbCl2
_chemical_formula_sum   'Si1 Pb1 Cl2'
_cell_volume   95.7
_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
  Pb  Pb1  1  0.0  0.45  0.08  1.0
  Cl  Cl2  1  0.0  0.91  0.07  1.0
  Cl  Cl3  1  0.0  0.99  0.08  1.0

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