data_[Ag12Hg4Au8]
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 [Cmcm]
_cell_length_a [8.8730]
_cell_length_b [5.1310]
_cell_length_c [9.8011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ag3HgAu2]
_chemical_formula_sum '[Ag12 Hg4 Au8]'
_cell_volume [446.2172]
_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  8  0.1696  0.0000  0.0000  1
  Ag  Ag1  4  0.0000  0.5000  0.0000  1
  Hg  Hg2  4  0.0000  0.1661  0.7500  1
  Au  Au3  8  0.1657  0.3319  0.2500  1
]