data_[Li2Ce4B20]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.6745]
_cell_length_b [11.2613]
_cell_length_c [4.1331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Li(CeB5)2]
_chemical_formula_sum '[Li2 Ce4 B20]'
_cell_volume [264.1173]
_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
  Ce  Ce1  4  0.1968  0.3617  0.5000  1
  B  B2  8  0.2157  0.1174  0.3010  1
  B  B3  4  0.0514  0.1913  0.0000  1
  B  B4  4  0.1185  0.5427  0.0000  1
  B  B5  4  0.1414  0.6985  0.0000  1
]