data_[Ce12Ge4Sb2Te6]
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
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2722]
_cell_length_b [4.3962]
_cell_length_c [8.8939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2696]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6Ge2SbTe3]
_chemical_formula_sum '[Ce12 Ge4 Sb2 Te6]'
_cell_volume [733.4155]
_cell_formula_units_Z [2]
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  4  0.0077  0.0000  0.2518  1
  Ce  Ce1  4  0.1674  0.5000  0.1012  1
  Ce  Ce2  4  0.1720  0.5000  0.5704  1
  Ge  Ge3  4  0.1677  0.0000  0.3340  1
  Sb  Sb4  2  0.0000  0.5000  0.0000  1
  Te  Te5  4  0.1636  0.0000  0.8327  1
  Te  Te6  2  0.0000  0.5000  0.5000  1
]