data_[Li2Ce10Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.8387]
_cell_length_b [8.8387]
_cell_length_c [8.9810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [LiCe5Se8]
_chemical_formula_sum '[Li2 Ce10 Se16]'
_cell_volume [701.6246]
_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  0.5000  0.7500  1.0
  Ce  Ce1  8  0.1275  0.7517  0.1204  1.0
  Ce  Ce2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.0709  0.8196  0.7953  1.0
  Se  Se4  8  0.0772  0.6798  0.4394  1.0
]