data_[Li12Y8Tl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.4612]
_cell_length_b [16.2567]
_cell_length_c [8.0548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Li3(YTl2)2]
_chemical_formula_sum '[Li12 Y8 Tl16]'
_cell_volume [846.0612]
_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  8  0.2500  0.2277  0.2500  1.0
  Li  Li1  4  0.0000  0.0000  0.0000  1.0
  Y  Y2  8  0.0000  0.1085  0.5830  1.0
  Tl  Tl3  8  0.0000  0.1746  0.9681  1.0
  Tl  Tl4  8  0.2500  0.0531  0.2500  1.0
]