data_[Ti2Tl2Ag4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [8.8619]
_cell_length_b [9.1560]
_cell_length_c [8.2527]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiTl(AgCl4)2]
_chemical_formula_sum '[Ti2 Tl2 Ag4 Cl16]'
_cell_volume [664.8994]
_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
[
  Ti  Ti0  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  4  0.0496  0.5000  0.7362  1.0
  Cl  Cl3  8  0.0171  0.1829  0.2045  1.0
  Cl  Cl4  4  0.1852  0.5000  0.4701  1.0
  Cl  Cl5  4  0.2302  0.5000  0.9957  1.0
]