data_[Bi6Sb2Pb8]
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 [15.5978]
_cell_length_b [4.6629]
_cell_length_c [7.5169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0145]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Bi3SbPb4]
_chemical_formula_sum '[Bi6 Sb2 Pb8]'
_cell_volume [543.7009]
_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  0.2493  0.5000  0.7511  1
  Bi  Bi1  2  0.0000  0.0000  0.5000  1
  Sb  Sb2  2  0.0000  0.5000  0.0000  1
  Pb  Pb3  4  0.1197  0.0000  0.8804  1
  Pb  Pb4  4  0.1238  0.5000  0.3648  1
]