data_[Bi6Sb4Pb16]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.6452]
_cell_length_b [9.1217]
_cell_length_c [6.2579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7713]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi3(SbPb4)2]
_chemical_formula_sum '[Bi6 Sb4 Pb16]'
_cell_volume [859.4495]
_cell_formula_units_Z [2]
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  0.1907  0.0000  1
  Bi  Bi1  2  0.0000  0.0000  0.5000  1
  Sb  Sb2  4  0.2212  0.5000  0.1120  1
  Pb  Pb3  8  0.1497  0.2627  0.7115  1
  Pb  Pb4  4  0.0547  0.5000  0.2878  1
  Pb  Pb5  4  0.1801  0.0000  0.3145  1
]