data_[Ce12Ag4Hg12]
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 [C2/m]
_cell_length_a [9.6848]
_cell_length_b [9.4696]
_cell_length_c [8.1959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3AgHg3]
_chemical_formula_sum '[Ce12 Ag4 Hg12]'
_cell_volume [751.5606]
_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  8  0.2423  0.1970  0.2454  1
  Ce  Ce1  4  0.0328  0.0000  0.2370  1
  Ag  Ag2  4  0.2338  0.5000  0.0716  1
  Hg  Hg3  4  0.0000  0.2701  0.5000  1
  Hg  Hg4  4  0.0000  0.2971  0.0000  1
  Hg  Hg5  4  0.2328  0.5000  0.4316  1
]