data_[Si2Sn2Pb2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0214]
_cell_length_b [6.9296]
_cell_length_c [8.6734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SiSnPbSe4]
_chemical_formula_sum '[Si2 Sn2 Pb2 Se8]'
_cell_volume [402.0088]
_cell_formula_units_Z [2]
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  2  0.2062  0.2500  0.2931  1.0
  Sn  Sn1  2  0.2812  0.7500  0.5620  1.0
  Pb  Pb2  2  0.2249  0.7500  0.0595  1.0
  Se  Se3  4  0.0092  0.0056  0.7699  1.0
  Se  Se4  2  0.3855  0.2500  0.5627  1.0
  Se  Se5  2  0.4205  0.2500  0.1397  1.0
]