data_[Li4Ce2Cu4Se8]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.6286]
_cell_length_b [3.9283]
_cell_length_c [7.6342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ce(CuSe2)2]
_chemical_formula_sum '[Li4 Ce2 Cu4 Se8]'
_cell_volume [376.0125]
_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  4  0.1278  0.0000  0.6615  1.0
  Ce  Ce1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1808  0.5000  0.3810  1.0
  Se  Se3  4  0.0087  0.5000  0.7355  1.0
  Se  Se4  4  0.2273  0.0000  0.2374  1.0
]