data_[Ba2Pb12Au7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [12.2004]
_cell_length_b [12.2004]
_cell_length_c [4.6811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ba2Pb12Au7]
_chemical_formula_sum '[Ba2 Pb12 Au7]'
_cell_volume [603.4315]
_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  0.2489  1
  Pb  Pb1  6  0.0566  0.4340  0.7548  1
  Pb  Pb2  6  0.1124  0.2593  0.2506  1
  Au  Au3  6  0.1277  0.7046  0.7344  1
  Au  Au4  1  0.0000  0.0000  0.5000  1
]