data_[Na6Al4Sn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [12.3030]
_cell_length_b [4.6691]
_cell_length_c [8.6746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3(AlSn2)2]
_chemical_formula_sum '[Na6 Al4 Sn8]'
_cell_volume [490.7072]
_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
[
  Na  Na0  4  0.1014  0.5000  0.7073  1.0
  Na  Na1  2  0.0000  0.0000  0.0000  1.0
  Al  Al2  4  0.2126  0.5000  0.3922  1.0
  Sn  Sn3  4  0.0821  0.0000  0.3895  1.0
  Sn  Sn4  4  0.2036  0.5000  0.0715  1.0
]