data_[K96Tl32F192]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Fd-3]
_cell_length_a [17.5265]
_cell_length_b [17.5265]
_cell_length_c [17.5265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [203]
_chemical_formula_structural [K3TlF6]
_chemical_formula_sum '[K96 Tl32 F192]'
_cell_volume [5383.7592]
_cell_formula_units_Z [32]
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  48  0.0000  0.0000  0.2234  1
  K  K1  32  0.1123  0.1123  0.3877  1
  K  K2  8  0.0000  0.0000  0.0000  1
  K  K3  8  0.0000  0.0000  0.5000  1
  Tl  Tl4  16  0.1250  0.1250  0.1250  1
  Tl  Tl5  16  0.1250  0.1250  0.6250  1
  F  F6  96  0.0021  0.1183  0.1255  1
  F  F7  96  0.0154  0.4213  0.8427  1
]