data_[Li2Ce2In2Se6]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0479]
_cell_length_b [3.9814]
_cell_length_c [9.1394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCeInSe3]
_chemical_formula_sum '[Li2 Ce2 In2 Se6]'
_cell_volume [324.6651]
_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  0.1026  0.2500  0.5919  1.0
  Ce  Ce1  2  0.1563  0.2500  0.2032  1.0
  In  In2  2  0.3597  0.7500  0.8162  1.0
  Se  Se3  2  0.0901  0.2500  0.8724  1.0
  Se  Se4  2  0.1896  0.7500  0.4510  1.0
  Se  Se5  2  0.3738  0.7500  0.1360  1.0
]