data_[Bi4Pb12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [11.5793]
_cell_length_b [11.5793]
_cell_length_c [4.4663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [BiPb3Au]
_chemical_formula_sum '[Bi4 Pb12 Au4]'
_cell_volume [598.8408]
_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
[
  Bi  Bi0  4  0.2059  0.2059  0.5000  1.0
  Pb  Pb1  8  0.0034  0.3369  0.0000  1.0
  Pb  Pb2  4  0.1085  0.8915  0.5000  1.0
  Au  Au3  4  0.0863  0.0863  0.0000  1.0
]