data_[Cs12Tl20Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [12.8277]
_cell_length_b [15.5855]
_cell_length_c [8.0163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs3Tl5Ag2]
_chemical_formula_sum '[Cs12 Tl20 Ag8]'
_cell_volume [1602.6764]
_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  0.2426  0.3713  0.0000  1.0
  Cs  Cs1  4  0.0000  0.0000  0.2500  1.0
  Tl  Tl2  8  0.0000  0.2575  0.2500  1.0
  Tl  Tl3  8  0.1389  0.3810  0.5000  1.0
  Tl  Tl4  4  0.0000  0.5000  0.2500  1.0
  Ag  Ag5  8  0.1359  0.1610  0.0000  1.0
]