data_[Ce16Ag8Hg24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.6827]
_cell_length_b [10.1330]
_cell_length_c [17.5380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ce2AgHg3]
_chemical_formula_sum '[Ce16 Ag8 Hg24]'
_cell_volume [1187.5905]
_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  0.2499  0.0000  0.5000  1.0
  Ce  Ce1  8  0.2500  0.2500  0.2500  1.0
  Ag  Ag2  8  0.0000  0.0000  0.1666  1.0
  Hg  Hg3  16  0.0000  0.2460  0.0846  1.0
  Hg  Hg4  8  0.0000  0.0000  0.3307  1.0
]