data_[Ag24Hg4Au2]
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 [P4/nbm]
_cell_length_a [5.5431]
_cell_length_b [5.5431]
_cell_length_c [20.3267]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [125]
_chemical_formula_structural [Ag12Hg2Au]
_chemical_formula_sum '[Ag24 Hg4 Au2]'
_cell_volume [624.5485]
_cell_formula_units_Z [2]
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  0.1774  0.3226  0.4374  1
  Ag  Ag1  8  0.2500  0.2500  0.8992  1
  Ag  Ag2  4  0.0000  0.0000  0.2042  1
  Ag  Ag3  4  0.0000  0.0000  0.3387  1
  Hg  Hg4  4  0.0000  0.5000  0.2713  1
  Au  Au5  2  0.0000  0.5000  0.0000  1
]