data_[Li4Ce2Tl4]
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 [P2_1/m]
_cell_length_a [5.2871]
_cell_length_b [5.0505]
_cell_length_c [9.7028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li2CeTl2]
_chemical_formula_sum '[Li4 Ce2 Tl4]'
_cell_volume [251.3399]
_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  2  0.3472  0.2500  0.6994  1.0
  Li  Li1  2  0.4205  0.7500  0.9340  1.0
  Ce  Ce2  2  0.1648  0.2500  0.3013  1.0
  Tl  Tl3  2  0.0022  0.7500  0.0940  1.0
  Tl  Tl4  2  0.2538  0.7500  0.5185  1.0
]