data_[Sn4Pb8Au4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9906]
_cell_length_b [19.0489]
_cell_length_c [12.8783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [SnPb2AuSe5]
_chemical_formula_sum '[Sn4 Pb8 Au4 Se20]'
_cell_volume [978.9712]
_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  0.0000  0.2190  0.0126  1.0
  Pb  Pb1  4  0.0000  0.1172  0.3062  1.0
  Pb  Pb2  4  0.0000  0.1245  0.6881  1.0
  Au  Au3  4  0.0000  0.4584  0.4461  1.0
  Se  Se4  4  0.0000  0.0776  0.0536  1.0
  Se  Se5  4  0.0000  0.2831  0.6680  1.0
  Se  Se6  4  0.0000  0.2847  0.3682  1.0
  Se  Se7  4  0.0000  0.3621  0.0163  1.0
  Se  Se8  4  0.0000  0.4976  0.7649  1.0
]