data_[Ge4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2949]
_cell_length_b [15.6793]
_cell_length_c [11.7513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [GeTe5]
_chemical_formula_sum '[Ge4 Te20]'
_cell_volume [791.3344]
_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
[
  Ge  Ge0  4  0.0000  0.2686  0.4632  1
  Te  Te1  4  0.0000  0.0161  0.7866  1
  Te  Te2  4  0.0000  0.0979  0.0014  1
  Te  Te3  4  0.0000  0.2897  0.6952  1
  Te  Te4  4  0.0000  0.3517  0.2109  1
  Te  Te5  4  0.0000  0.3710  0.9749  1
]