data_[Sb4Pb12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Ima2]
_cell_length_a [9.8121]
_cell_length_b [6.9845]
_cell_length_c [9.0562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [SbPb3Au]
_chemical_formula_sum '[Sb4 Pb12 Au4]'
_cell_volume [620.6511]
_cell_formula_units_Z [4]
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
[
  Sb  Sb0  4  0.2500  0.0293  0.0892  1.0
  Pb  Pb1  8  0.0506  0.7388  0.2655  1.0
  Pb  Pb2  4  0.2500  0.5073  0.9909  1.0
  Au  Au3  4  0.2500  0.1382  0.7972  1.0
]