data_[Li4Ce8Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1738]
_cell_length_b [4.7989]
_cell_length_c [10.0051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(CeTl)2]
_chemical_formula_sum '[Li4 Ce8 Tl8]'
_cell_volume [520.3020]
_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  4  0.2341  0.5000  0.3026  1.0
  Ce  Ce1  4  0.0422  0.0000  0.3812  1.0
  Ce  Ce2  4  0.1842  0.0000  0.0495  1.0
  Tl  Tl3  4  0.0074  0.5000  0.8491  1.0
  Tl  Tl4  4  0.1600  0.5000  0.5993  1.0
]