data_[Cs8Ge4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [14.4891]
_cell_length_b [9.7763]
_cell_length_c [8.0108]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.4655]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cs2GeTe3]
_chemical_formula_sum '[Cs8 Ge4 Te12]'
_cell_volume [1115.8497]
_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
[
  Cs  Cs0  8  0.1598  0.3385  0.1854  1.0
  Ge  Ge1  4  0.0000  0.0808  0.7500  1.0
  Te  Te2  8  0.1262  0.0391  0.4785  1.0
  Te  Te3  4  0.0000  0.3450  0.7500  1.0
]