data_[K8Tl4]
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 [Cm]
_cell_length_a [13.5728]
_cell_length_b [4.7413]
_cell_length_c [10.0747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [K2Tl]
_chemical_formula_sum '[K8 Tl4]'
_cell_volume [632.5883]
_cell_formula_units_Z [4]
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  0.1014  0.0000  0.0182  1.0
  K  K1  2  0.2095  0.5000  0.4455  1.0
  K  K2  2  0.3314  0.0000  0.7833  1.0
  K  K3  2  0.4149  0.0000  0.2767  1.0
  Tl  Tl4  2  0.0069  0.0000  0.5633  1.0
  Tl  Tl5  2  0.1026  0.5000  0.7463  1.0
]