data_[Ag24Hg4Au12]
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 [Cmc2_1]
_cell_length_a [8.0101]
_cell_length_b [17.9432]
_cell_length_c [5.3612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ag6HgAu3]
_chemical_formula_sum '[Ag24 Hg4 Au12]'
_cell_volume [770.5449]
_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  0.1832  0.4651  0.9153  1.0
  Ag  Ag1  8  0.1895  0.2669  0.1950  1.0
  Ag  Ag2  4  0.0000  0.0105  0.7056  1.0
  Ag  Ag3  4  0.0000  0.3243  0.7676  1.0
  Hg  Hg4  4  0.0000  0.1605  0.5036  1.0
  Au  Au5  8  0.1795  0.1184  0.0096  1.0
  Au  Au6  4  0.0000  0.3978  0.2982  1.0
]