data_[Li20Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.2582]
_cell_length_b [5.0771]
_cell_length_c [7.8700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7389]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5Sn2]
_chemical_formula_sum '[Li20 Sn8]'
_cell_volume [527.0976]
_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  8  0.1284  0.1747  0.4691  1.0
  Li  Li1  8  0.2119  0.3129  0.8220  1.0
  Li  Li2  4  0.0000  0.1785  0.7500  1.0
  Sn  Sn3  8  0.0827  0.3267  0.1119  1.0
]