data_[Hg4Pb14Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.4591]
_cell_length_b [10.5982]
_cell_length_c [6.8695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hg2Pb7Au2]
_chemical_formula_sum '[Hg4 Pb14 Au4]'
_cell_volume [688.6587]
_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
[
  Hg  Hg0  4  0.1610  0.0000  0.5000  1.0
  Pb  Pb1  8  0.2500  0.2500  0.2541  1.0
  Pb  Pb2  4  0.0000  0.5000  0.2610  1.0
  Pb  Pb3  2  0.0000  0.0000  0.0000  1.0
  Au  Au4  4  0.0000  0.2784  0.0000  1.0
]