data_[Li1Ce3Te6]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4565]
_cell_length_b [4.4565]
_cell_length_c [21.2572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Li(CeTe2)3]
_chemical_formula_sum '[Li1 Ce3 Te6]'
_cell_volume [365.6216]
_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  1  0.0000  0.0000  0.5000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.3281  1.0
  Ce  Ce2  1  0.0000  0.0000  0.0000  1.0
  Te  Te3  2  0.3333  0.6667  0.2488  1.0
  Te  Te4  2  0.3333  0.6667  0.5814  1.0
  Te  Te5  2  0.3333  0.6667  0.9193  1.0
]