data_[Na2Al2Sn2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8971]
_cell_length_b [4.0563]
_cell_length_c [10.4105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaAlSnSe3]
_chemical_formula_sum '[Na2 Al2 Sn2 Se6]'
_cell_volume [374.4193]
_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  2  0.1303  0.2500  0.1287  1.0
  Al  Al1  2  0.0788  0.2500  0.6093  1.0
  Sn  Sn2  2  0.3956  0.7500  0.8484  1.0
  Se  Se3  2  0.1088  0.2500  0.8316  1.0
  Se  Se4  2  0.1788  0.7500  0.4999  1.0
  Se  Se5  2  0.3705  0.7500  0.1073  1.0
]