data_[Ce4Hg4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Hg  2.0000  1.5000  1.2450
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [4.9006]
_cell_length_b [11.6837]
_cell_length_c [6.5972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [CeHgAu2]
_chemical_formula_sum '[Ce4 Hg4 Au8]'
_cell_volume [377.7376]
_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  0.2500  0.1705  0.4898  1
  Hg  Hg1  4  0.2500  0.4223  0.2705  1
  Au  Au2  4  0.2500  0.1564  0.0055  1
  Au  Au3  4  0.2500  0.4257  0.7342  1
]