data_[Si2Pb4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0972]
_cell_length_b [6.9304]
_cell_length_c [8.6182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Si(PbSe2)2]
_chemical_formula_sum '[Si2 Pb4 Se8]'
_cell_volume [404.1659]
_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  0.2863  0.2500  0.2059  1.0
  Pb  Pb1  2  0.2317  0.7500  0.9384  1.0
  Pb  Pb2  2  0.2734  0.7500  0.4418  1.0
  Se  Se3  4  0.4971  0.0045  0.7326  1.0
  Se  Se4  2  0.0865  0.2500  0.3700  1.0
  Se  Se5  2  0.1152  0.2500  0.9344  1.0
]