data_[Ti1Ag1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ag  1.9300  1.6000  1.0867
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7694]
_cell_length_b [6.6838]
_cell_length_c [7.2035]
_cell_angle_alpha [117.0787]
_cell_angle_beta [110.7249]
_cell_angle_gamma [92.3017]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TiAgCl6]
_chemical_formula_sum '[Ti1 Ag1 Cl6]'
_cell_volume [224.4692]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  1  0.5000  0.5000  0.0000  1.0
  Cl  Cl2  2  0.1288  0.6427  0.8382  1.0
  Cl  Cl3  2  0.1821  0.1300  0.8082  1.0
  Cl  Cl4  2  0.3619  0.1733  0.3280  1.0
]