data_[Ce4Zn12Hg4]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [4.1925]
_cell_length_b [4.4427]
_cell_length_c [22.5821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CeZn3Hg]
_chemical_formula_sum '[Ce4 Zn12 Hg4]'
_cell_volume [420.6186]
_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  0.2500  0.0883  1
  Zn  Zn1  4  0.0000  0.2500  0.2868  1
  Zn  Zn2  4  0.0000  0.2500  0.5232  1
  Zn  Zn3  4  0.0000  0.2500  0.7863  1
  Hg  Hg4  4  0.0000  0.2500  0.6389  1
]