data_[Li12Ce2In12]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.8033]
_cell_length_b [9.6385]
_cell_length_c [9.7370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li6CeIn6]
_chemical_formula_sum '[Li12 Ce2 In12]'
_cell_volume [544.6433]
_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  8  0.2500  0.2500  0.2500  1.0
  Li  Li1  4  0.0000  0.5000  0.2697  1.0
  Ce  Ce2  2  0.0000  0.0000  0.0000  1.0
  In  In3  4  0.0000  0.0000  0.3414  1.0
  In  In4  4  0.0000  0.2998  0.5000  1.0
  In  In5  4  0.0000  0.3452  0.0000  1.0
]