data_[Ce8Th8Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [15.9883]
_cell_length_b [8.3476]
_cell_length_c [8.3311]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce2Th2Te5]
_chemical_formula_sum '[Ce8 Th8 Te20]'
_cell_volume [1111.9016]
_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  8  0.0000  0.1446  0.6498  1
  Th  Th1  8  0.1961  0.0000  0.0000  1
  Te  Te2  16  0.1410  0.1617  0.3426  1
  Te  Te3  4  0.0000  0.0000  0.0000  1
]