data_[Li2Ce2Sn2S6]
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
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.5947]
_cell_length_b [3.8787]
_cell_length_c [8.8111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCeSnS3]
_chemical_formula_sum '[Li2 Ce2 Sn2 S6]'
_cell_volume [292.1842]
_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  0.1053  0.2500  0.5838  1.0
  Ce  Ce1  2  0.1507  0.2500  0.2047  1.0
  Sn  Sn2  2  0.3544  0.7500  0.8330  1.0
  S  S3  2  0.1095  0.2500  0.8680  1.0
  S  S4  2  0.1798  0.7500  0.4439  1.0
  S  S5  2  0.3850  0.7500  0.1286  1.0
]