data_[Ag4Hg1Au5]
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/mmm]
_cell_length_a [2.8916]
_cell_length_b [2.8916]
_cell_length_c [22.0956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ag4HgAu5]
_chemical_formula_sum '[Ag4 Hg1 Au5]'
_cell_volume [184.7463]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2088  1
  Ag  Ag1  2  0.0000  0.0000  0.4032  1
  Hg  Hg2  1  0.0000  0.0000  0.0000  1
  Au  Au3  2  0.5000  0.5000  0.1115  1
  Au  Au4  2  0.5000  0.5000  0.3062  1
  Au  Au5  1  0.5000  0.5000  0.5000  1
]