data_[Ce4Ag4Hg16]
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 [Cmc2_1]
_cell_length_a [5.1422]
_cell_length_b [16.4212]
_cell_length_c [7.2147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [CeAgHg4]
_chemical_formula_sum '[Ce4 Ag4 Hg16]'
_cell_volume [609.2153]
_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  4  0.0000  0.1681  0.4308  1.0
  Ag  Ag1  4  0.0000  0.3396  0.2217  1.0
  Hg  Hg2  4  0.0000  0.0265  0.7667  1.0
  Hg  Hg3  4  0.0000  0.2049  0.9208  1.0
  Hg  Hg4  4  0.0000  0.3505  0.6308  1.0
  Hg  Hg5  4  0.0000  0.4722  0.9626  1.0
]