data_[K2Tl2Si2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7100]
_cell_length_b [7.2472]
_cell_length_c [8.4672]
_cell_angle_alpha [88.3642]
_cell_angle_beta [67.8605]
_cell_angle_gamma [63.7080]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KTlSiS3]
_chemical_formula_sum '[K2 Tl2 Si2 S6]'
_cell_volume [337.1551]
_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  0.1111  0.0657  0.6850  1
  Tl  Tl1  2  0.2919  0.3082  0.0999  1
  Si  Si2  2  0.4344  0.4513  0.6768  1
  S  S3  2  0.2287  0.6777  0.9013  1
  S  S4  2  0.2485  0.5193  0.5011  1
  S  S5  2  0.4541  0.8583  0.2779  1
]