data_[Li10Al2Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4025]
_cell_length_b [4.7042]
_cell_length_c [5.9341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li5AlTl4]
_chemical_formula_sum '[Li10 Al2 Tl8]'
_cell_volume [408.4014]
_cell_formula_units_Z [2]
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  4  0.0997  0.0000  0.3629  1
  Li  Li1  4  0.2069  0.5000  0.8148  1
  Li  Li2  2  0.0000  0.5000  0.5000  1
  Al  Al3  2  0.0000  0.5000  0.0000  1
  Tl  Tl4  4  0.0955  0.0000  0.8477  1
  Tl  Tl5  4  0.1966  0.5000  0.3039  1
]