data_[Li4Ce4B16]
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 [5.9500]
_cell_length_b [11.5019]
_cell_length_c [3.7168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [LiCeB4]
_chemical_formula_sum '[Li4 Ce4 B16]'
_cell_volume [254.3616]
_cell_formula_units_Z [4]
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  0.1289  0.4150  0.0000  1
  Ce  Ce1  4  0.1256  0.1502  0.0000  1
  B  B2  4  0.0272  0.6930  0.5000  1
  B  B3  4  0.1121  0.5465  0.5000  1
  B  B4  4  0.1350  0.9686  0.5000  1
  B  B5  4  0.2132  0.8140  0.5000  1
]