data_[Sb4Pb4Au4]
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 [Cm]
_cell_length_a [16.7928]
_cell_length_b [4.4516]
_cell_length_c [4.7031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SbPbAu]
_chemical_formula_sum '[Sb4 Pb4 Au4]'
_cell_volume [341.6829]
_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  2  0.2508  0.5000  0.1965  1.0
  Sb  Sb1  2  0.4964  0.5000  0.0894  1.0
  Pb  Pb2  2  0.1716  0.0000  0.7121  1.0
  Pb  Pb3  2  0.4264  0.0000  0.5109  1.0
  Au  Au4  2  0.0835  0.5000  0.9959  1.0
  Au  Au5  2  0.3376  0.5000  0.7695  1.0
]