data_[Ba2Pb6Au2]
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 [Pmn2_1]
_cell_length_a [6.8992]
_cell_length_b [6.8634]
_cell_length_c [6.9263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [BaPb3Au]
_chemical_formula_sum '[Ba2 Pb6 Au2]'
_cell_volume [327.9746]
_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
[
  Ba  Ba0  2  0.0000  0.7241  0.0384  1.0
  Pb  Pb1  4  0.2468  0.7796  0.5371  1.0
  Pb  Pb2  2  0.0000  0.3796  0.6541  1.0
  Au  Au3  2  0.0000  0.0899  0.3556  1.0
]