data_[Ba3Hg2Pb1Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-3m1]
_cell_length_a [6.8128]
_cell_length_b [6.8128]
_cell_length_c [9.0614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Hg2PbAu6]
_chemical_formula_sum '[Ba3 Hg2 Pb1 Au6]'
_cell_volume [364.2291]
_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
[
  Ba  Ba0  2  0.3333  0.6667  0.3711  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  2  0.3333  0.6667  0.9911  1.0
  Pb  Pb3  1  0.0000  0.0000  0.5000  1.0
  Au  Au4  6  0.1917  0.3834  0.7125  1.0
]