data_[Si1Pb2Cl1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.4713]
_cell_length_b [5.1130]
_cell_length_c [6.1193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [SiPb2Cl]
_chemical_formula_sum '[Si1 Pb2 Cl1]'
_cell_volume [108.6105]
_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  0.5000  0.5000  0.0000  1
  Pb  Pb1  1  0.0000  0.0000  0.0000  1
  Pb  Pb2  1  0.5000  0.5000  0.5000  1
  Cl  Cl3  1  0.0000  0.0000  0.5000  1
]