data_[K13Tl2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.8846]
_cell_length_b [10.2967]
_cell_length_c [11.8318]
_cell_angle_alpha [112.6378]
_cell_angle_beta [90.1211]
_cell_angle_gamma [103.6547]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [K13Tl2]
_chemical_formula_sum '[K13 Tl2]'
_cell_volume [965.5387]
_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  2  0.0487  0.4425  0.6382  1.0
  K  K1  2  0.1642  0.9775  0.6508  1.0
  K  K2  2  0.2284  0.4182  0.0294  1.0
  K  K3  2  0.2920  0.9157  0.2585  1.0
  K  K4  2  0.4290  0.7739  0.8597  1.0
  K  K5  2  0.4817  0.6551  0.4353  1.0
  K  K6  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl7  2  0.2001  0.2804  0.3065  1.0
]