data_[Cr8Fe24O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.7795]
_cell_length_b [10.3882]
_cell_length_c [10.5449]
_cell_angle_alpha [97.6973]
_cell_angle_beta [93.5354]
_cell_angle_gamma [93.6434]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr(FeO2)3]
_chemical_formula_sum '[Cr8 Fe24 O48]'
_cell_volume [1056.8042]
_cell_formula_units_Z [8]
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
[
  Cr  Cr0  1  0.1365  0.5959  0.1794  1
  Cr  Cr1  1  0.1605  0.5345  0.5000  1
  Cr  Cr2  1  0.4841  0.1699  0.7762  1
  Cr  Cr3  1  0.5548  0.2035  0.0560  1
  Cr  Cr4  1  0.5961  0.3849  0.4222  1
  Cr  Cr5  1  0.6174  0.1026  0.5392  1
  Cr  Cr6  1  0.7140  0.5251  0.2166  1
  Cr  Cr7  1  0.9442  0.0190  0.5033  1
  Fe  Fe8  1  0.0050  0.9670  0.9774  1
  Fe  Fe9  1  0.0230  0.4385  0.9028  1
  Fe  Fe10  1  0.0539  0.8187  0.6939  1
  Fe  Fe11  1  0.0564  0.3209  0.1915  1
  Fe  Fe12  1  0.0666  0.9131  0.2642  1
  Fe  Fe13  1  0.1678  0.1051  0.8000  1
  Fe  Fe14  1  0.2619  0.1285  0.1147  1
  Fe  Fe15  1  0.2720  0.8739  0.5275  1
  Fe  Fe16  1  0.2990  0.3690  0.8534  1
  Fe  Fe17  1  0.3489  0.4613  0.2864  1
  Fe  Fe18  1  0.3532  0.8891  0.8736  1
  Fe  Fe19  1  0.3533  0.6411  0.9748  1
  Fe  Fe20  1  0.3625  0.2873  0.5566  1
  Fe  Fe21  1  0.3766  0.8870  0.2240  1
  Fe  Fe22  1  0.4355  0.6646  0.6271  1
  Fe  Fe23  1  0.5762  0.7329  0.3759  1
  Fe  Fe24  1  0.6871  0.9744  0.9248  1
  Fe  Fe25  1  0.6879  0.4024  0.7682  1
  Fe  Fe26  1  0.7280  0.7991  0.1286  1
  Fe  Fe27  1  0.7919  0.6078  0.5145  1
  Fe  Fe28  1  0.8504  0.6986  0.8386  1
  Fe  Fe29  1  0.8561  0.1186  0.7228  1
  Fe  Fe30  1  0.8628  0.1052  0.2064  1
  Fe  Fe31  1  0.8780  0.3391  0.4788  1
  O  O32  1  0.0075  0.4567  0.0876  1
  O  O33  1  0.0077  0.0016  0.6829  1
  O  O34  1  0.0206  0.1365  0.1036  1
  O  O35  1  0.0278  0.7962  0.8705  1
  O  O36  1  0.0858  0.2761  0.8375  1
  O  O37  1  0.1095  0.9350  0.4549  1
  O  O38  1  0.1306  0.4867  0.3194  1
  O  O39  1  0.1672  0.7084  0.5780  1
  O  O40  1  0.1784  0.7717  0.2265  1
  O  O41  1  0.1984  0.5305  0.8944  1
  O  O42  1  0.2007  0.0080  0.9546  1
  O  O43  1  0.2078  0.4117  0.5779  1
  O  O44  1  0.2326  0.0150  0.2428  1
  O  O45  1  0.2488  0.3117  0.1672  1
  O  O46  1  0.2538  0.9281  0.7125  1
  O  O47  1  0.3260  0.5776  0.1442  1
  O  O48  1  0.3360  0.5843  0.4564  1
  O  O49  1  0.3660  0.8213  0.0382  1
  O  O50  1  0.3729  0.2153  0.9211  1
  O  O51  1  0.3974  0.7080  0.8092  1
  O  O52  1  0.4081  0.3259  0.3900  1
  O  O53  1  0.4101  0.8496  0.4115  1
  O  O54  1  0.4367  0.1072  0.5897  1
  O  O55  1  0.4471  0.0951  0.1408  1
  O  O56  1  0.4505  0.3489  0.7347  1
  O  O57  1  0.5153  0.0024  0.8455  1
  O  O58  1  0.5437  0.5249  0.3052  1
  O  O59  1  0.5791  0.8439  0.2370  1
  O  O60  1  0.6079  0.6861  0.5456  1
  O  O61  1  0.6364  0.3399  0.9559  1
  O  O62  1  0.6565  0.2060  0.4281  1
  O  O63  1  0.6712  0.1925  0.7102  1
  O  O64  1  0.6850  0.6246  0.0832  1
  O  O65  1  0.6927  0.3539  0.0907  1
  O  O66  1  0.7027  0.0810  0.0899  1
  O  O67  1  0.7141  0.4396  0.5845  1
  O  O68  1  0.7165  0.7990  0.9302  1
  O  O69  1  0.7523  0.9940  0.5656  1
  O  O70  1  0.7696  0.4326  0.3593  1
  O  O71  1  0.7705  0.6846  0.3474  1
  O  O72  1  0.8564  0.0406  0.8758  1
  O  O73  1  0.8598  0.5153  0.8433  1
  O  O74  1  0.8723  0.7281  0.6636  1
  O  O75  1  0.8902  0.9882  0.3259  1
  O  O76  1  0.9258  0.8782  0.1103  1
  O  O77  1  0.9271  0.2028  0.5793  1
  O  O78  1  0.9455  0.2568  0.3175  1
  O  O79  1  0.9739  0.5132  0.5234  1
]