data_[Na4Al4Sn2S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2069]
_cell_length_b [10.8405]
_cell_length_c [7.1354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Al2SnS6]
_chemical_formula_sum '[Na4 Al4 Sn2 S12]'
_cell_volume [460.5669]
_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  0.0000  0.1628  0.0000  1.0
  Al  Al1  4  0.0000  0.3307  0.5000  1.0
  Sn  Sn2  2  0.0000  0.0000  0.5000  1.0
  S  S3  8  0.2380  0.1748  0.7026  1.0
  S  S4  4  0.2184  0.5000  0.7003  1.0
]