data_[Sb2Pb10Au8]
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 [16.1779]
_cell_length_b [4.6406]
_cell_length_c [7.4451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SbPb5Au4]
_chemical_formula_sum '[Sb2 Pb10 Au8]'
_cell_volume [547.7062]
_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  0.0000  1
  Pb  Pb1  4  0.1656  0.0000  0.5464  1
  Pb  Pb2  4  0.1839  0.0000  0.0662  1
  Pb  Pb3  2  0.0000  0.5000  0.5000  1
  Au  Au4  4  0.0313  0.0000  0.7847  1
  Au  Au5  4  0.1499  0.5000  0.2886  1
]