data_[Ce4Hg12Au8]
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 [C2/m]
_cell_length_a [18.0750]
_cell_length_b [4.4259]
_cell_length_c [8.4042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeHg3Au2]
_chemical_formula_sum '[Ce4 Hg12 Au8]'
_cell_volume [618.6701]
_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  0.1172  0.0000  0.0404  1.0
  Hg  Hg1  4  0.0692  0.0000  0.4338  1.0
  Hg  Hg2  4  0.1253  0.5000  0.7271  1.0
  Hg  Hg3  4  0.1925  0.5000  0.4025  1.0
  Au  Au4  4  0.0129  0.5000  0.1767  1.0
  Au  Au5  4  0.2485  0.0000  0.8747  1.0
]