data_[Tl8Ag8Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Ima2]
_cell_length_a [21.3714]
_cell_length_b [7.1028]
_cell_length_c [7.0846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Tl2Ag2Cl5]
_chemical_formula_sum '[Tl8 Ag8 Cl20]'
_cell_volume [1075.4265]
_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
[
  Tl  Tl0  8  0.1129  0.5199  0.0015  1.0
  Ag  Ag1  4  0.0000  0.0000  0.9896  1.0
  Ag  Ag2  4  0.2500  0.0562  0.0210  1.0
  Cl  Cl3  8  0.0054  0.2476  0.2418  1.0
  Cl  Cl4  8  0.1379  0.5289  0.4726  1.0
  Cl  Cl5  4  0.2500  0.0942  0.3935  1.0
]