data_[Fe9Sb6Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.5670]
_cell_length_b [4.5670]
_cell_length_c [24.7753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Fe3(SbPb)2]
_chemical_formula_sum '[Fe9 Sb6 Pb6]'
_cell_volume [447.5126]
_cell_formula_units_Z [3]
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
[
  Fe  Fe0  3  0.0000  0.0000  0.1070  1
  Fe  Fe1  3  0.0000  0.0000  0.4095  1
  Fe  Fe2  3  0.0000  0.0000  0.6202  1
  Sb  Sb3  3  0.0000  0.0000  0.2481  1
  Sb  Sb4  3  0.0000  0.0000  0.7366  1
  Pb  Pb5  3  0.0000  0.0000  0.5117  1
  Pb  Pb6  3  0.0000  0.0000  0.9920  1
]