data_[Cs16Si8Pb8Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [Fddd]
_cell_length_a [6.9420]
_cell_length_b [14.6377]
_cell_length_c [26.1322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Cs2SiPbSe4]
_chemical_formula_sum '[Cs16 Si8 Pb8 Se32]'
_cell_volume [2655.4469]
_cell_formula_units_Z [8]
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
[
  Cs  Cs0  16  0.0000  0.0000  0.1816  1.0
  Si  Si1  8  0.0000  0.0000  0.5000  1.0
  Pb  Pb2  8  0.0000  0.0000  0.0000  1.0
  Se  Se3  32  0.0676  0.1556  0.6982  1.0
]