data_[Ce4Ge4Te16]
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 [Cmc2_1]
_cell_length_a [4.2037]
_cell_length_b [16.7314]
_cell_length_c [11.4896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CeGeTe4]
_chemical_formula_sum '[Ce4 Ge4 Te16]'
_cell_volume [808.0986]
_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  4  0.0000  0.3424  0.2613  1.0
  Ge  Ge1  4  0.0000  0.2252  0.4818  1.0
  Te  Te2  4  0.0000  0.0195  0.7425  1.0
  Te  Te3  4  0.0000  0.1006  0.9518  1.0
  Te  Te4  4  0.0000  0.2889  0.6974  1.0
  Te  Te5  4  0.0000  0.3820  0.9974  1.0
]