data_[Bi4Sb32Pb24Au4S80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1659]
_cell_length_b [44.2656]
_cell_length_c [20.0806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [BiSb8Pb6AuS20]
_chemical_formula_sum '[Bi4 Sb32 Pb24 Au4 S80]'
_cell_volume [3702.9801]
_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
[
  Bi  Bi0  4  0.0000  0.4591  0.9468  1
  Sb  Sb1  4  0.0000  0.0306  0.6305  1
  Sb  Sb2  4  0.0000  0.0318  0.8674  1
  Sb  Sb3  4  0.0000  0.1154  0.9429  1
  Sb  Sb4  4  0.0000  0.1173  0.5552  1
  Sb  Sb5  4  0.0000  0.2628  0.7493  1
  Sb  Sb6  4  0.0000  0.2730  0.9382  1
  Sb  Sb7  4  0.0000  0.3784  0.6200  1
  Sb  Sb8  4  0.0000  0.4597  0.5535  1
  Pb  Pb9  4  0.0000  0.0569  0.2459  1
  Pb  Pb10  4  0.0000  0.2845  0.5609  1
  Pb  Pb11  4  0.0000  0.3069  0.1421  1
  Pb  Pb12  4  0.0000  0.3077  0.3573  1
  Pb  Pb13  4  0.0000  0.3706  0.8733  1
  Pb  Pb14  4  0.0000  0.3980  0.2587  1
  Au  Au15  4  0.0000  0.1668  0.2482  1
  S  S16  4  0.0000  0.0008  0.0051  1
  S  S17  4  0.0000  0.0546  0.7510  1
  S  S18  4  0.0000  0.0732  0.3973  1
  S  S19  4  0.0000  0.0752  0.0897  1
  S  S20  4  0.0000  0.1387  0.8325  1
  S  S21  4  0.0000  0.1408  0.6643  1
  S  S22  4  0.0000  0.1577  0.1342  1
  S  S23  4  0.0000  0.1699  0.3628  1
  S  S24  4  0.0000  0.2068  0.7458  1
  S  S25  4  0.0000  0.2169  0.9583  1
  S  S26  4  0.0000  0.2228  0.5207  1
  S  S27  4  0.0000  0.2411  0.1613  1
  S  S28  4  0.0000  0.2442  0.3413  1
  S  S29  4  0.0000  0.3535  0.4828  1
  S  S30  4  0.0000  0.3542  0.0150  1
  S  S31  4  0.0000  0.4000  0.7384  1
  S  S32  4  0.0000  0.4289  0.3970  1
  S  S33  4  0.0000  0.4349  0.0951  1
  S  S34  4  0.0000  0.4867  0.6614  1
  S  S35  4  0.0000  0.4930  0.8369  1
]