data_[Li16Al2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.6514]
_cell_length_b [4.5899]
_cell_length_c [7.0855]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8AlSn2]
_chemical_formula_sum '[Li16 Al2 Sn4]'
_cell_volume [388.9654]
_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  4  0.0291  0.0000  0.7270  1.0
  Li  Li1  4  0.0995  0.5000  0.4410  1.0
  Li  Li2  4  0.1409  0.0000  0.1898  1.0
  Li  Li3  4  0.1700  0.5000  0.8881  1.0
  Al  Al4  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn5  4  0.2174  0.0000  0.6601  1.0
]