data_[Ba3Sb4Pb2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sb  2.0500  1.4500  0.8300
  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 [4.8042]
_cell_length_b [4.8042]
_cell_length_c [19.6882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Sb4(PbAu)2]
_chemical_formula_sum '[Ba3 Sb4 Pb2 Au2]'
_cell_volume [393.5276]
_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  0.0000  0.0000  0.2429  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.3333  0.6667  0.1207  1.0
  Sb  Sb3  2  0.3333  0.6667  0.6468  1.0
  Pb  Pb4  2  0.3333  0.6667  0.4268  1.0
  Au  Au5  2  0.3333  0.6667  0.8771  1.0
]