data_[Li4Al4Sn4]
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 [Cm]
_cell_length_a [9.3144]
_cell_length_b [4.3448]
_cell_length_c [6.1136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiAlSn]
_chemical_formula_sum '[Li4 Al4 Sn4]'
_cell_volume [238.4384]
_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  2  0.0279  0.5000  0.3667  1.0
  Li  Li1  2  0.2008  0.0000  0.6958  1.0
  Al  Al2  2  0.0254  0.5000  0.8694  1.0
  Al  Al3  2  0.3529  0.5000  0.0159  1.0
  Sn  Sn4  2  0.1884  0.0000  0.1775  1.0
  Sn  Sn5  2  0.3755  0.5000  0.5533  1.0
]