data_[Li12Al4Sn8]
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 [Ibam]
_cell_length_a [5.8197]
_cell_length_b [14.8251]
_cell_length_c [5.7096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Li3AlSn2]
_chemical_formula_sum '[Li12 Al4 Sn8]'
_cell_volume [492.6074]
_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  0.2403  0.8306  0.0000  1.0
  Li  Li1  4  0.0000  0.5000  0.2500  1.0
  Al  Al2  4  0.0000  0.0000  0.2500  1.0
  Sn  Sn3  8  0.2449  0.6357  0.0000  1.0
]