data_[Li2Ce8Se14]
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 [Cm]
_cell_length_a [13.4333]
_cell_length_b [4.1100]
_cell_length_c [12.1973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3663]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiCe4Se7]
_chemical_formula_sum '[Li2 Ce8 Se14]'
_cell_volume [649.3517]
_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  0.3849  0.5000  0.5738  1
  Ce  Ce1  2  0.1207  0.0000  0.4404  1
  Ce  Ce2  2  0.1856  0.5000  0.7814  1
  Ce  Ce3  2  0.3026  0.0000  0.1967  1
  Ce  Ce4  2  0.4956  0.5000  0.9915  1
  Se  Se5  2  0.0115  0.5000  0.5197  1
  Se  Se6  2  0.0307  0.0000  0.7745  1
  Se  Se7  2  0.1566  0.5000  0.0490  1
  Se  Se8  2  0.2429  0.5000  0.3559  1
  Se  Se9  2  0.2708  0.0000  0.6524  1
  Se  Se10  2  0.3342  0.0000  0.9472  1
  Se  Se11  2  0.4640  0.5000  0.2176  1
]