data_[Na8Ge4Te4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9488]
_cell_length_b [18.6674]
_cell_length_c [13.3569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2GeTeSe5]
_chemical_formula_sum '[Na8 Ge4 Te4 Se20]'
_cell_volume [984.5889]
_cell_formula_units_Z [4]
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  0.1028  0.6608  1.0
  Na  Na1  4  0.0000  0.1140  0.3291  1.0
  Ge  Ge2  4  0.0000  0.4328  0.4183  1.0
  Te  Te3  4  0.0000  0.2239  0.0440  1.0
  Se  Se4  4  0.0000  0.0430  0.0288  1.0
  Se  Se5  4  0.0000  0.2681  0.6887  1.0
  Se  Se6  4  0.0000  0.3064  0.3855  1.0
  Se  Se7  4  0.0000  0.3554  0.9986  1.0
  Se  Se8  4  0.0000  0.4969  0.2700  1.0
]