data_[Si8Ge4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1237]
_cell_length_b [12.7850]
_cell_length_c [7.2001]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Si2GeTe6]
_chemical_formula_sum '[Si8 Ge4 Te24]'
_cell_volume [1176.3009]
_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
[
  Si  Si0  8  0.1897  0.4416  0.7235  1.0
  Ge  Ge1  4  0.0000  0.1003  0.7500  1.0
  Te  Te2  8  0.1113  0.0723  0.1649  1.0
  Te  Te3  8  0.1244  0.3921  0.0233  1.0
  Te  Te4  8  0.1434  0.2803  0.5034  1.0
]