data_[K16Al8Ge8Te32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [6.7388]
_cell_length_b [15.0384]
_cell_length_c [24.9001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [K2AlGeTe4]
_chemical_formula_sum '[K16 Al8 Ge8 Te32]'
_cell_volume [2523.3872]
_cell_formula_units_Z [8]
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
[
  K  K0  16  0.0000  0.0000  0.1844  1.0
  Al  Al1  8  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  8  0.0000  0.0000  0.5000  1.0
  Te  Te3  32  0.0135  0.1486  0.3083  1.0
]