data_[Li2Ce8Se10]
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 [I4/mmm]
_cell_length_a [4.1979]
_cell_length_b [4.1979]
_cell_length_c [29.4082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [LiCe4Se5]
_chemical_formula_sum '[Li2 Ce8 Se10]'
_cell_volume [518.2400]
_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  1.0
  Ce  Ce1  4  0.0000  0.0000  0.2004  1.0
  Ce  Ce2  4  0.0000  0.0000  0.4028  1.0
  Se  Se3  4  0.0000  0.0000  0.0971  1.0
  Se  Se4  4  0.0000  0.0000  0.3014  1.0
  Se  Se5  2  0.0000  0.0000  0.5000  1.0
]