data_[Si4Ag8Pb4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [8.2273]
_cell_length_b [9.5690]
_cell_length_c [11.2227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [SiAg2PbSe4]
_chemical_formula_sum '[Si4 Ag8 Pb4 Se16]'
_cell_volume [883.5259]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.5061  1.0
  Ag  Ag1  8  0.2500  0.2500  0.2428  1.0
  Pb  Pb2  4  0.0000  0.0000  0.9606  1.0
  Se  Se3  8  0.0000  0.1971  0.3917  1.0
  Se  Se4  8  0.2258  0.0000  0.6320  1.0
]