data_[Ti2Tl2Ag2Cl12]
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]
_cell_length_a [6.8219]
_cell_length_b [12.0754]
_cell_length_c [6.6577]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TiTlAgCl6]
_chemical_formula_sum '[Ti2 Tl2 Ag2 Cl12]'
_cell_volume [548.2656]
_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  0.6643  0.5000  1.0
  Tl  Tl1  2  0.0000  0.9955  0.0000  1.0
  Ag  Ag2  2  0.0000  0.3337  0.5000  1.0
  Cl  Cl3  4  0.1292  0.5233  0.2993  1.0
  Cl  Cl4  4  0.1573  0.8005  0.3001  1.0
  Cl  Cl5  4  0.2224  0.1768  0.2826  1.0
]