data_[Li2Ce2Tl2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0467]
_cell_length_b [4.3021]
_cell_length_c [9.3485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCeTlSe3]
_chemical_formula_sum '[Li2 Ce2 Tl2 Se6]'
_cell_volume [353.0153]
_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  0.0799  0.2500  0.5918  1.0
  Ce  Ce1  2  0.3247  0.7500  0.8388  1.0
  Tl  Tl2  2  0.1943  0.2500  0.2466  1.0
  Se  Se3  2  0.1278  0.2500  0.8737  1.0
  Se  Se4  2  0.2068  0.7500  0.5344  1.0
  Se  Se5  2  0.4558  0.7500  0.1587  1.0
]