data_[Fe6As6Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [19.4889]
_cell_length_b [6.2313]
_cell_length_c [8.2614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Fe3As3Pb]
_chemical_formula_sum '[Fe6 As6 Pb2]'
_cell_volume [1003.2683]
_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
[
  Fe  Fe0  4  0.4100  0.1794  0.1265  1
  Fe  Fe1  2  0.5000  0.0000  0.2990  1
  As  As2  4  0.3848  0.1029  0.3944  1
  As  As3  2  0.5000  0.0000  0.0092  1
  Pb  Pb4  2  0.5000  0.0000  0.6572  1
]