data_[Fe23Pb1O32]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.5036]
_cell_length_b [8.5151]
_cell_length_c [8.5235]
_cell_angle_alpha [89.9946]
_cell_angle_beta [89.9377]
_cell_angle_gamma [89.9946]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Fe23PbO32]
_chemical_formula_sum '[Fe23 Pb1 O32]'
_cell_volume [617.1743]
_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  1  0.1185  0.8683  0.6204  1
  Fe  Fe1  1  0.1205  0.6333  0.8801  1
  Fe  Fe2  1  0.1215  0.3802  0.1322  1
  Fe  Fe3  1  0.1227  0.1243  0.3704  1
  Fe  Fe4  1  0.2528  0.7541  0.2518  1
  Fe  Fe5  1  0.3748  0.8682  0.8736  1
  Fe  Fe6  1  0.3748  0.6340  0.6288  1
  Fe  Fe7  1  0.3776  0.1234  0.1289  1
  Fe  Fe8  1  0.3799  0.3808  0.3679  1
  Fe  Fe9  1  0.5001  0.9963  0.4963  1
  Fe  Fe10  1  0.5031  0.4982  0.0012  1
  Fe  Fe11  1  0.6240  0.6184  0.3767  1
  Fe  Fe12  1  0.6265  0.8718  0.1249  1
  Fe  Fe13  1  0.6324  0.3797  0.6206  1
  Fe  Fe14  1  0.6332  0.1244  0.8703  1
  Fe  Fe15  1  0.7465  0.7533  0.7500  1
  Fe  Fe16  1  0.7504  0.2464  0.2486  1
  Fe  Fe17  1  0.8661  0.1246  0.6273  1
  Fe  Fe18  1  0.8687  0.3806  0.8808  1
  Fe  Fe19  1  0.8759  0.8728  0.3774  1
  Fe  Fe20  1  0.8813  0.6197  0.1206  1
  Fe  Fe21  1  0.9989  0.4989  0.4986  1
  Fe  Fe22  1  0.9999  0.9964  0.0041  1
  Pb  Pb23  1  0.2501  0.2525  0.7492  1
  O  O24  1  0.1045  0.3970  0.8968  1
  O  O25  1  0.1082  0.1051  0.5985  1
  O  O26  1  0.1123  0.8830  0.3700  1
  O  O27  1  0.1164  0.6280  0.1306  1
  O  O28  1  0.1266  0.3620  0.3737  1
  O  O29  1  0.1314  0.8743  0.8726  1
  O  O30  1  0.1348  0.6266  0.6242  1
  O  O31  1  0.1373  0.1255  0.1308  1
  O  O32  1  0.3653  0.1252  0.3669  1
  O  O33  1  0.3724  0.8682  0.6255  1
  O  O34  1  0.3749  0.3632  0.1275  1
  O  O35  1  0.3758  0.6217  0.8653  1
  O  O36  1  0.3875  0.6304  0.3810  1
  O  O37  1  0.3890  0.8821  0.1260  1
  O  O38  1  0.3950  0.4023  0.6034  1
  O  O39  1  0.3990  0.1102  0.8998  1
  O  O40  1  0.6180  0.6301  0.6135  1
  O  O41  1  0.6186  0.1264  0.6347  1
  O  O42  1  0.6196  0.1113  0.1209  1
  O  O43  1  0.6220  0.8824  0.8874  1
  O  O44  1  0.6273  0.3625  0.8735  1
  O  O45  1  0.6286  0.3847  0.3723  1
  O  O46  1  0.6325  0.6338  0.1342  1
  O  O47  1  0.6355  0.8663  0.3633  1
  O  O48  1  0.8647  0.8643  0.1348  1
  O  O49  1  0.8666  0.6339  0.3680  1
  O  O50  1  0.8682  0.1244  0.8773  1
  O  O51  1  0.8698  0.8784  0.6126  1
  O  O52  1  0.8699  0.6296  0.8860  1
  O  O53  1  0.8728  0.3861  0.1285  1
  O  O54  1  0.8732  0.3691  0.6283  1
  O  O55  1  0.8818  0.1112  0.3715  1
]