data_[Sn8Pb24Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  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/c]
_cell_length_a [14.2514]
_cell_length_b [12.1684]
_cell_length_c [6.5207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6848]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sn2Pb6Au]
_chemical_formula_sum '[Sn8 Pb24 Au4]'
_cell_volume [1088.6885]
_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
[
  Sn  Sn0  8  0.1736  0.4898  0.8793  1.0
  Pb  Pb1  8  0.0119  0.3416  0.0100  1.0
  Pb  Pb2  8  0.1173  0.0820  0.2205  1.0
  Pb  Pb3  8  0.2024  0.2030  0.7450  1.0
  Au  Au4  4  0.0000  0.1272  0.7500  1.0
]