data_[Na2Sn4Ge6Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9585]
_cell_length_b [4.3545]
_cell_length_c [8.7610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3560]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSn2(GeTe2)3]
_chemical_formula_sum '[Na2 Sn4 Ge6 Te12]'
_cell_volume [703.6955]
_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
  Sn  Sn1  4  0.1608  0.0000  0.3352  1.0
  Ge  Ge2  4  0.1685  0.0000  0.8410  1.0
  Ge  Ge3  2  0.0000  0.5000  0.5000  1.0
  Te  Te4  4  0.0028  0.0000  0.7367  1.0
  Te  Te5  4  0.1645  0.5000  0.5935  1.0
  Te  Te6  4  0.1729  0.5000  0.0777  1.0
]