data_[Na12Ge4Te16]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.3002]
_cell_length_b [10.9629]
_cell_length_c [10.7132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Na3GeTe4]
_chemical_formula_sum '[Na12 Ge4 Te16]'
_cell_volume [1092.2818]
_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  8  0.1253  0.0354  0.2755  1
  Na  Na1  4  0.1648  0.7500  0.0667  1
  Ge  Ge2  4  0.1902  0.7500  0.5265  1
  Te  Te3  8  0.1525  0.0523  0.9776  1
  Te  Te4  4  0.0032  0.7500  0.3438  1
  Te  Te5  4  0.0928  0.7500  0.7543  1
]