data_[Tl2Ag6I4Cl12]
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
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5532]
_cell_length_b [7.6903]
_cell_length_c [6.2192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TlAg3(ICl3)2]
_chemical_formula_sum '[Tl2 Ag6 I4 Cl12]'
_cell_volume [695.2074]
_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  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag1  4  0.2500  0.2500  0.5000  1.0
  Ag  Ag2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1758  0.5000  0.2078  1.0
  Cl  Cl4  8  0.0742  0.2414  0.7490  1.0
  Cl  Cl5  4  0.1695  0.0000  0.2952  1.0
]