data_[Ce16Al24Hg8]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.2021]
_cell_length_b [9.3867]
_cell_length_c [16.2868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ce2Al3Hg]
_chemical_formula_sum '[Ce16 Al24 Hg8]'
_cell_volume [1101.0494]
_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  0.2464  0.0000  0.5000  1.0
  Ce  Ce1  8  0.2500  0.2500  0.2500  1.0
  Al  Al2  16  0.0000  0.2451  0.0821  1.0
  Al  Al3  8  0.0000  0.0000  0.1635  1.0
  Hg  Hg4  8  0.0000  0.0000  0.3326  1.0
]