data_[Ag4Hg4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  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 [9.8764]
_cell_length_b [4.2800]
_cell_length_c [5.9810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AgHgAu]
_chemical_formula_sum '[Ag4 Hg4 Au4]'
_cell_volume [235.1987]
_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
[
  Ag  Ag0  4  0.0053  0.5000  0.7594  1.0
  Hg  Hg1  4  0.1689  0.0000  0.5970  1.0
  Au  Au2  4  0.1619  0.0000  0.0891  1.0
]