data_[Bi4Sb4Pb4Au8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0307]
_cell_length_b [4.5920]
_cell_length_c [10.3210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BiSbPbAu2]
_chemical_formula_sum '[Bi4 Sb4 Pb4 Au8]'
_cell_volume [553.1286]
_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  0.1326  0.0000  0.0161  1
  Sb  Sb1  4  0.1194  0.5000  0.3559  1
  Pb  Pb2  4  0.1130  0.0000  0.6506  1
  Au  Au3  4  0.1142  0.5000  0.8398  1
  Au  Au4  4  0.2330  0.0000  0.3348  1
]