data_[Li2Ce2Sc2Te6]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6671]
_cell_length_b [4.2674]
_cell_length_c [9.5109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCeScTe3]
_chemical_formula_sum '[Li2 Ce2 Sc2 Te6]'
_cell_volume [340.2996]
_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  0.0889  0.2500  0.5882  1.0
  Ce  Ce1  2  0.1947  0.2500  0.2382  1.0
  Sc  Sc2  2  0.3294  0.7500  0.8428  1.0
  Te  Te3  2  0.0992  0.2500  0.8737  1.0
  Te  Te4  2  0.2439  0.7500  0.5117  1.0
  Te  Te5  2  0.4401  0.7500  0.1638  1.0
]