data_[Sb2Pb2Au8]
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 [C2/m]
_cell_length_a [5.8415]
_cell_length_b [5.3659]
_cell_length_c [8.4964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SbPbAu4]
_chemical_formula_sum '[Sb2 Pb2 Au8]'
_cell_volume [266.2810]
_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
[
  Sb  Sb0  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb1  2  0.0000  0.0000  0.0000  1.0
  Au  Au2  4  0.0349  0.5000  0.8308  1.0
  Au  Au3  4  0.0745  0.0000  0.6601  1.0
]