data_[Fe3Pb4Cl1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9710]
_cell_length_b [3.9710]
_cell_length_c [15.6272]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Fe3Pb4ClO8]
_chemical_formula_sum '[Fe3 Pb4 Cl1 O8]'
_cell_volume [246.4200]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.2445  1.0
  Fe  Fe1  1  0.5000  0.5000  0.5000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.1211  1.0
  Pb  Pb3  2  0.0000  0.0000  0.3847  1.0
  Cl  Cl4  1  0.5000  0.5000  0.0000  1.0
  O  O5  4  0.0000  0.5000  0.2113  1.0
  O  O6  2  0.0000  0.5000  0.5000  1.0
  O  O7  2  0.5000  0.5000  0.3656  1.0
]