data_[Ce12Al4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.3879]
_cell_length_b [15.2434]
_cell_length_c [7.4184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce3AlTe6]
_chemical_formula_sum '[Ce12 Al4 Te24]'
_cell_volume [1400.8359]
_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  0.1786  0.0968  0.5151  1.0
  Ce  Ce1  4  0.0000  0.4022  0.6183  1.0
  Al  Al2  4  0.0000  0.2039  0.9715  1.0
  Te  Te3  8  0.1629  0.4652  0.3175  1.0
  Te  Te4  8  0.1696  0.2659  0.7997  1.0
  Te  Te5  4  0.0000  0.0412  0.8344  1.0
  Te  Te6  4  0.0000  0.2215  0.3260  1.0
]