data_[Ce20Tl8Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.3207]
_cell_length_b [7.5799]
_cell_length_c [7.7050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ce5(TlSi)2]
_chemical_formula_sum '[Ce20 Tl8 Si8]'
_cell_volume [953.1744]
_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  0.1215  0.1946  0.3176  1.0
  Ce  Ce1  4  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  8  0.2268  0.0000  0.0000  1.0
  Si  Si3  8  0.0000  0.1095  0.6137  1.0
]