data_[Ce20Ge8Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.6462]
_cell_length_b [8.0453]
_cell_length_c [8.0554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce5(GeTe)2]
_chemical_formula_sum '[Ce20 Ge8 Te8]'
_cell_volume [1014.0113]
_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
[
  Ce  Ce0  16  0.1270  0.1670  0.6671  1
  Ce  Ce1  4  0.0000  0.0000  0.0000  1
  Ge  Ge2  8  0.0000  0.1339  0.3668  1
  Te  Te3  8  0.2050  0.0000  0.0000  1
]