data_[Ag4Sn4Pb8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  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 [Cmc2_1]
_cell_length_a [4.0256]
_cell_length_b [20.0265]
_cell_length_c [12.6796]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [AgSnPb2Se5]
_chemical_formula_sum '[Ag4 Sn4 Pb8 Se20]'
_cell_volume [1022.2162]
_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
[
  Ag  Ag0  4  0.0000  0.2002  0.0228  1.0
  Sn  Sn1  4  0.0000  0.4533  0.4323  1.0
  Pb  Pb2  4  0.0000  0.1314  0.3240  1.0
  Pb  Pb3  4  0.0000  0.1503  0.6697  1.0
  Se  Se4  4  0.0000  0.0229  0.0572  1.0
  Se  Se5  4  0.0000  0.2956  0.6676  1.0
  Se  Se6  4  0.0000  0.3285  0.3812  1.0
  Se  Se7  4  0.0000  0.3401  0.0041  1.0
  Se  Se8  4  0.0000  0.4766  0.7651  1.0
]