data_[Na2Sn6Ge4Te12]
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 [19.1631]
_cell_length_b [4.3610]
_cell_length_c [8.9674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSn3(GeTe3)2]
_chemical_formula_sum '[Na2 Sn6 Ge4 Te12]'
_cell_volume [735.4600]
_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  0.1658  0.0000  0.8210  1.0
  Sn  Sn2  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge3  4  0.1632  0.0000  0.3206  1.0
  Te  Te4  4  0.0093  0.0000  0.2579  1.0
  Te  Te5  4  0.1688  0.5000  0.5772  1.0
  Te  Te6  4  0.1707  0.5000  0.1037  1.0
]