data_[Cs12Ag8Pb20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ag  1.9300  1.6000  1.0867
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.2530]
_cell_length_b [12.6125]
_cell_length_c [7.9614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.2519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs3Ag2Pb5]
_chemical_formula_sum '[Cs12 Ag8 Pb20]'
_cell_volume [1566.8878]
_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
[
  Cs  Cs0  8  0.1258  0.2612  0.6361  1.0
  Cs  Cs1  4  0.0000  0.0288  0.2500  1.0
  Ag  Ag2  8  0.1654  0.1376  0.1381  1.0
  Pb  Pb3  8  0.1272  0.3636  0.1338  1.0
  Pb  Pb4  8  0.2461  0.4921  0.5115  1.0
  Pb  Pb5  4  0.0000  0.4957  0.7500  1.0
]