data_[Cs4Tl16Ag4]
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 [Immm]
_cell_length_a [5.4668]
_cell_length_b [8.0987]
_cell_length_c [19.9025]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CsTl4Ag]
_chemical_formula_sum '[Cs4 Tl16 Ag4]'
_cell_volume [881.1689]
_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  0.5000  0.2926  1
  Tl  Tl1  8  0.0000  0.2498  0.0994  1
  Tl  Tl2  4  0.0000  0.0000  0.3584  1
  Tl  Tl3  4  0.0000  0.3155  0.5000  1
  Ag  Ag4  4  0.2463  0.5000  0.0000  1
]