data_[Li2Ce2Tl4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3552]
_cell_length_b [7.5804]
_cell_length_c [12.7564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LiCe(TlCl3)2]
_chemical_formula_sum '[Li2 Ce2 Tl4 Cl12]'
_cell_volume [584.0187]
_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  0.0000  0.0000  0.5000  1.0
  Ce  Ce1  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.2322  0.5588  0.7478  1.0
  Cl  Cl3  4  0.1580  0.7108  0.4587  1.0
  Cl  Cl4  4  0.2490  0.2030  0.4590  1.0
  Cl  Cl5  4  0.3230  0.5170  0.2423  1.0
]