data_[K12Li24Tl80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [14.8373]
_cell_length_b [14.8373]
_cell_length_c [14.8373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [K3(Li3Tl10)2]
_chemical_formula_sum '[K12 Li24 Tl80]'
_cell_volume [3266.3891]
_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  8  0.2500  0.2500  0.2500  1
  K  K1  4  0.0000  0.0000  0.0000  1
  Li  Li2  24  0.0000  0.0000  0.2657  1
  Tl  Tl3  48  0.0000  0.1725  0.1725  1
  Tl  Tl4  32  0.1152  0.1152  0.3848  1
]