data_[Cs4Ag4Pb16]
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 [Immm]
_cell_length_a [6.0459]
_cell_length_b [8.7336]
_cell_length_c [18.1471]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CsAgPb4]
_chemical_formula_sum '[Cs4 Ag4 Pb16]'
_cell_volume [958.2198]
_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  4  0.0000  0.0000  0.2063  1.0
  Ag  Ag1  4  0.2384  0.0000  0.5000  1.0
  Pb  Pb2  8  0.0000  0.2446  0.4113  1.0
  Pb  Pb3  4  0.0000  0.2054  0.0000  1.0
  Pb  Pb4  4  0.0000  0.5000  0.1368  1.0
]