data_[Sn4Pb12Au12]
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/m]
_cell_length_a [7.6371]
_cell_length_b [13.0981]
_cell_length_c [7.7166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sn(PbAu)3]
_chemical_formula_sum '[Sn4 Pb12 Au12]'
_cell_volume [755.1327]
_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  4  0.2263  0.0000  0.0059  1.0
  Pb  Pb1  4  0.0000  0.2061  0.5000  1.0
  Pb  Pb2  4  0.0000  0.2682  0.0000  1.0
  Pb  Pb3  4  0.1334  0.5000  0.3656  1.0
  Au  Au4  8  0.2139  0.3473  0.7382  1.0
  Au  Au5  4  0.0257  0.0000  0.3138  1.0
]