data_[Li2Ce1Tl1Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.8411]
_cell_length_b [9.6495]
_cell_length_c [7.0341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Li2CeTlBr8]
_chemical_formula_sum '[Li2 Ce1 Tl1 Br8]'
_cell_volume [396.3802]
_cell_formula_units_Z [1]
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  0.5000  0.2035  0.5000  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  1  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.2551  0.2167  0.1690  1
  Br  Br4  2  0.2522  0.5000  0.5217  1
  Br  Br5  2  0.2553  0.0000  0.6619  1
]