data_[In8Ge4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [14.4971]
_cell_length_b [13.8945]
_cell_length_c [8.4865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7792]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [In2GeTe6]
_chemical_formula_sum '[In8 Ge4 Te24]'
_cell_volume [1483.6924]
_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
[
  In  In0  8  0.2031  0.3858  0.9703  1.0
  Ge  Ge1  4  0.0000  0.1329  0.7500  1.0
  Te  Te2  8  0.0802  0.4442  0.1344  1.0
  Te  Te3  8  0.1235  0.0378  0.0497  1.0
  Te  Te4  8  0.1392  0.2358  0.7020  1.0
]