data_[Ga4Hg4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  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 [13.4038]
_cell_length_b [6.7538]
_cell_length_c [5.6819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8619]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaHgAu4]
_chemical_formula_sum '[Ga4 Hg4 Au16]'
_cell_volume [512.5070]
_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
[
  Ga  Ga0  4  0.0437  0.5000  0.7464  1.0
  Hg  Hg1  4  0.2139  0.0000  0.8352  1.0
  Au  Au2  8  0.1018  0.2151  0.4432  1.0
  Au  Au3  4  0.0000  0.2026  0.0000  1.0
  Au  Au4  4  0.2324  0.5000  0.6825  1.0
]