data_[Ce3Zn6Ag1Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.3686]
_cell_length_b [5.3686]
_cell_length_c [10.2615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ce3Zn6AgHg2]
_chemical_formula_sum '[Ce3 Zn6 Ag1 Hg2]'
_cell_volume [256.1345]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.5585  1
  Ce  Ce1  1  0.0000  0.0000  0.0000  1
  Zn  Zn2  6  0.1685  0.3369  0.2733  1
  Ag  Ag3  1  0.0000  0.0000  0.5000  1
  Hg  Hg4  2  0.3333  0.6667  0.8849  1
]