data_[Cs8Ge12Te20]
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 [Ibam]
_cell_length_a [11.1798]
_cell_length_b [21.9855]
_cell_length_c [6.7500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Cs2Ge3Te5]
_chemical_formula_sum '[Cs8 Ge12 Te20]'
_cell_volume [1659.1001]
_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  0.1795  0.8351  0.5000  1
  Ge  Ge1  8  0.0991  0.4036  0.0000  1
  Ge  Ge2  4  0.0000  0.0000  0.2500  1
  Te  Te3  8  0.0000  0.3051  0.2500  1
  Te  Te4  8  0.1469  0.0759  0.5000  1
  Te  Te5  4  0.0000  0.5000  0.2500  1
]