data_[Li92Tl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [13.1585]
_cell_length_b [13.1585]
_cell_length_c [13.1585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Li23Tl6]
_chemical_formula_sum '[Li92 Tl24]'
_cell_volume [2278.3671]
_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
[
  Li  Li0  32  0.1113  0.3887  0.3887  1
  Li  Li1  32  0.1383  0.1383  0.3617  1
  Li  Li2  24  0.0000  0.2500  0.2500  1
  Li  Li3  4  0.0000  0.0000  0.5000  1
  Tl  Tl4  24  0.0000  0.0000  0.2655  1
]