data_[Ce16Tl8In24]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.1869]
_cell_length_b [10.2293]
_cell_length_c [17.8339]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ce2TlIn3]
_chemical_formula_sum '[Ce16 Tl8 In24]'
_cell_volume [1311.1026]
_cell_formula_units_Z [8]
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  0.2457  0.0000  0.5000  1.0
  Ce  Ce1  8  0.2500  0.2500  0.2500  1.0
  Tl  Tl2  8  0.0000  0.0000  0.3327  1.0
  In  In3  16  0.0000  0.2469  0.0826  1.0
  In  In4  8  0.0000  0.0000  0.1651  1.0
]