data_[K1Ti1Ag1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P1]
_cell_length_a [6.6121]
_cell_length_b [6.7993]
_cell_length_c [6.8682]
_cell_angle_alpha [60.9959]
_cell_angle_beta [89.9285]
_cell_angle_gamma [88.6798]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KTiAgCl6]
_chemical_formula_sum '[K1 Ti1 Ag1 Cl6]'
_cell_volume [269.9619]
_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
[
  K  K0  1  0.0001  0.0008  0.0092  1.0
  Ti  Ti1  1  0.5000  0.6661  0.6701  1.0
  Ag  Ag2  1  0.5000  0.3332  0.3322  1.0
  Cl  Cl3  1  0.2814  0.9532  0.6503  1.0
  Cl  Cl4  1  0.2927  0.6422  0.3962  1.0
  Cl  Cl5  1  0.3009  0.3919  0.9531  1.0
  Cl  Cl6  1  0.6984  0.9583  0.3937  1.0
  Cl  Cl7  1  0.7086  0.6561  0.9514  1.0
  Cl  Cl8  1  0.7178  0.3981  0.6436  1.0
]