data_[Na2Mg4Sn6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0028]
_cell_length_b [4.0663]
_cell_length_c [8.3846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6686]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaMg2(SnSe2)3]
_chemical_formula_sum '[Na2 Mg4 Sn6 Se12]'
_cell_volume [601.1182]
_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  0.0000  0.5000  0.0000  1.0
  Mg  Mg1  4  0.1687  0.0000  0.3372  1.0
  Sn  Sn2  4  0.1681  0.0000  0.8349  1.0
  Sn  Sn3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0151  0.0000  0.2661  1.0
  Se  Se5  4  0.1710  0.5000  0.5724  1.0
  Se  Se6  4  0.1724  0.5000  0.1128  1.0
]