data_[Tl4Ag2Cl16]
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 [C2/m]
_cell_length_a [12.3401]
_cell_length_b [9.4610]
_cell_length_c [6.9631]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2AgCl8]
_chemical_formula_sum '[Tl4 Ag2 Cl16]'
_cell_volume [812.9201]
_cell_formula_units_Z [2]
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  4  0.2344  0.0000  0.3310  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.1113  0.1841  0.1628  1.0
  Cl  Cl3  4  0.0839  0.5000  0.7845  1.0
  Cl  Cl4  4  0.1934  0.0000  0.6712  1.0
]