data_[Cs2Tl1Ag3Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2960]
_cell_length_b [5.2960]
_cell_length_c [15.6769]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Cs2Tl(AgCl2)3]
_chemical_formula_sum '[Cs2 Tl1 Ag3 Cl6]'
_cell_volume [439.7076]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.2183  1.0
  Tl  Tl1  1  0.5000  0.5000  0.5000  1.0
  Ag  Ag2  2  0.0000  0.0000  0.3609  1.0
  Ag  Ag3  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.5000  0.3659  1.0
  Cl  Cl5  2  0.0000  0.0000  0.1493  1.0
]