data_[K2Ti2Ag2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1726]
_cell_length_b [3.7045]
_cell_length_c [9.4830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KTiAgS3]
_chemical_formula_sum '[K2 Ti2 Ag2 S6]'
_cell_volume [268.6758]
_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
[
  K  K0  2  0.2485  0.7500  0.2694  1.0
  Ti  Ti1  2  0.3156  0.2500  0.8453  1.0
  Ag  Ag2  2  0.0666  0.7500  0.6152  1.0
  S  S3  2  0.1288  0.7500  0.8862  1.0
  S  S4  2  0.2711  0.2500  0.5802  1.0
  S  S5  2  0.4682  0.2500  0.1269  1.0
]