data_[Ce2Hg1Au3]
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 [Pmm2]
_cell_length_a [3.3630]
_cell_length_b [4.8858]
_cell_length_c [8.4720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ce2HgAu3]
_chemical_formula_sum '[Ce2 Hg1 Au3]'
_cell_volume [139.2027]
_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  1  0.0000  0.0000  0.5133  1.0
  Ce  Ce1  1  0.0000  0.5000  0.9889  1.0
  Hg  Hg2  1  0.5000  0.5000  0.3312  1.0
  Au  Au3  1  0.5000  0.0000  0.1652  1.0
  Au  Au4  1  0.5000  0.0000  0.8348  1.0
  Au  Au5  1  0.5000  0.5000  0.6667  1.0
]