data_[Li8Ce8Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.5532]
_cell_length_b [9.5532]
_cell_length_c [7.5290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [LiCeSn]
_chemical_formula_sum '[Li8 Ce8 Sn8]'
_cell_volume [595.0681]
_cell_formula_units_Z [8]
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  6  0.1669  0.3337  0.2129  1
  Li  Li1  2  0.3333  0.6667  0.8299  1
  Ce  Ce2  6  0.0239  0.5119  0.5048  1
  Ce  Ce3  2  0.0000  0.0000  0.0026  1
  Sn  Sn4  6  0.1668  0.3335  0.7712  1
  Sn  Sn5  2  0.3333  0.6667  0.2297  1
]