data_[K2Tl10S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [9.3017]
_cell_length_b [10.0796]
_cell_length_c [7.5710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [KTl5S4]
_chemical_formula_sum '[K2 Tl10 S8]'
_cell_volume [709.8421]
_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  0.0000  0.0000  0.8842  1.0
  Tl  Tl1  8  0.2396  0.2021  0.2620  1.0
  Tl  Tl2  2  0.0000  0.5000  0.1729  1.0
  S  S3  4  0.0000  0.2896  0.9730  1.0
  S  S4  4  0.2306  0.5000  0.3515  1.0
]