data_[Ag10Hg2Au12]
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 [Immm]
_cell_length_a [4.2069]
_cell_length_b [8.3147]
_cell_length_c [12.5986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ag5HgAu6]
_chemical_formula_sum '[Ag10 Hg2 Au12]'
_cell_volume [440.6921]
_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  4  0.0000  0.0000  0.3338  1.0
  Ag  Ag1  4  0.0000  0.5000  0.3318  1.0
  Ag  Ag2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  8  0.0000  0.2519  0.1683  1.0
  Au  Au5  4  0.0000  0.2458  0.5000  1.0
]