data_[Li4Ce2In2Se8]
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 [I-4m2]
_cell_length_a [5.7259]
_cell_length_b [5.7259]
_cell_length_c [11.6400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Li2CeInSe4]
_chemical_formula_sum '[Li4 Ce2 In2 Se8]'
_cell_volume [381.6282]
_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  0.0000  0.0000  0.0000  1
  Li  Li1  2  0.0000  0.5000  0.7500  1
  Ce  Ce2  2  0.0000  0.0000  0.5000  1
  In  In3  2  0.0000  0.5000  0.2500  1
  Se  Se4  4  0.0000  0.0000  0.2502  1
  Se  Se5  4  0.0000  0.5000  0.5044  1
]