data_[Sr8Ca24Mn20Fe12O80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [10.9537]
_cell_length_b [11.1425]
_cell_length_c [17.3765]
_cell_angle_alpha [108.6606]
_cell_angle_beta [108.2849]
_cell_angle_gamma [90.0092]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sr2Ca6Mn5Fe3O20]
_chemical_formula_sum '[Sr8 Ca24 Mn20 Fe12 O80]'
_cell_volume [1895.9399]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  1  0.0583  0.8019  0.6104  1
  Sr  Sr1  1  0.0597  0.2988  0.6093  1
  Sr  Sr2  1  0.2008  0.4419  0.8923  1
  Sr  Sr3  1  0.3098  0.5606  0.6102  1
  Sr  Sr4  1  0.4494  0.1999  0.8905  1
  Sr  Sr5  1  0.5596  0.3010  0.6109  1
  Sr  Sr6  1  0.8088  0.0585  0.6110  1
  Sr  Sr7  1  0.9467  0.1980  0.3848  1
  Ca  Ca8  1  0.0559  0.7921  0.1070  1
  Ca  Ca9  1  0.0584  0.2963  0.1097  1
  Ca  Ca10  1  0.1986  0.4364  0.3904  1
  Ca  Ca11  1  0.1989  0.9344  0.3909  1
  Ca  Ca12  1  0.2002  0.9376  0.8970  1
  Ca  Ca13  1  0.3038  0.0652  0.1085  1
  Ca  Ca14  1  0.3059  0.0597  0.6035  1
  Ca  Ca15  1  0.3067  0.5668  0.1092  1
  Ca  Ca16  1  0.4483  0.7070  0.3918  1
  Ca  Ca17  1  0.4500  0.2059  0.3905  1
  Ca  Ca18  1  0.4518  0.7086  0.8964  1
  Ca  Ca19  1  0.5550  0.2930  0.1084  1
  Ca  Ca20  1  0.5564  0.7940  0.1085  1
  Ca  Ca21  1  0.5591  0.7934  0.6056  1
  Ca  Ca22  1  0.6936  0.4353  0.3908  1
  Ca  Ca23  1  0.6980  0.9352  0.3911  1
  Ca  Ca24  1  0.7003  0.4374  0.8959  1
  Ca  Ca25  1  0.7009  0.9385  0.8938  1
  Ca  Ca26  1  0.8049  0.0622  0.1056  1
  Ca  Ca27  1  0.8058  0.5630  0.1072  1
  Ca  Ca28  1  0.8080  0.5613  0.6061  1
  Ca  Ca29  1  0.9476  0.7055  0.3903  1
  Ca  Ca30  1  0.9488  0.7082  0.8947  1
  Ca  Ca31  1  0.9527  0.2051  0.8954  1
  Mn  Mn32  1  0.0018  0.4993  0.4959  1
  Mn  Mn33  1  0.0047  0.9994  0.4980  1
  Mn  Mn34  1  0.1079  0.5988  0.2491  1
  Mn  Mn35  1  0.1086  0.6022  0.7511  1
  Mn  Mn36  1  0.1131  0.0909  0.2471  1
  Mn  Mn37  1  0.1141  0.0932  0.7556  1
  Mn  Mn38  1  0.2538  0.2482  0.4958  1
  Mn  Mn39  1  0.2568  0.2510  0.0029  1
  Mn  Mn40  1  0.3573  0.9009  0.2493  1
  Mn  Mn41  1  0.3585  0.4056  0.2482  1
  Mn  Mn42  1  0.3638  0.9012  0.7511  1
  Mn  Mn43  1  0.3682  0.4061  0.7515  1
  Mn  Mn44  1  0.6056  0.0949  0.2494  1
  Mn  Mn45  1  0.6069  0.5972  0.2491  1
  Mn  Mn46  1  0.6092  0.0929  0.7491  1
  Mn  Mn47  1  0.6167  0.6061  0.7540  1
  Mn  Mn48  1  0.8567  0.4088  0.2482  1
  Mn  Mn49  1  0.8575  0.8981  0.2470  1
  Mn  Mn50  1  0.8581  0.8978  0.7526  1
  Mn  Mn51  1  0.8601  0.4078  0.7532  1
  Fe  Fe52  1  0.0062  0.5001  0.0018  1
  Fe  Fe53  1  0.0079  0.0034  0.0032  1
  Fe  Fe54  1  0.2529  0.7486  0.4972  1
  Fe  Fe55  1  0.2563  0.7526  0.0024  1
  Fe  Fe56  1  0.5028  0.9985  0.4969  1
  Fe  Fe57  1  0.5032  0.4967  0.4944  1
  Fe  Fe58  1  0.5065  0.0008  0.0027  1
  Fe  Fe59  1  0.5069  0.5004  0.0023  1
  Fe  Fe60  1  0.7524  0.7471  0.4959  1
  Fe  Fe61  1  0.7534  0.2493  0.4977  1
  Fe  Fe62  1  0.7564  0.7505  0.0010  1
  Fe  Fe63  1  0.7570  0.2505  0.0020  1
  O  O64  1  0.0671  0.5840  0.6325  1
  O  O65  1  0.0765  0.0774  0.6329  1
  O  O66  1  0.0791  0.5928  0.1350  1
  O  O67  1  0.0896  0.1020  0.1325  1
  O  O68  1  0.1196  0.6192  0.4869  1
  O  O69  1  0.1236  0.6255  0.9934  1
  O  O70  1  0.1252  0.1221  0.9862  1
  O  O71  1  0.1280  0.1179  0.4895  1
  O  O72  1  0.1310  0.8797  0.5034  1
  O  O73  1  0.1327  0.3774  0.5039  1
  O  O74  1  0.1364  0.8816  0.0121  1
  O  O75  1  0.1384  0.3790  0.0156  1
  O  O76  1  0.1716  0.4347  0.2500  1
  O  O77  1  0.1795  0.9164  0.2487  1
  O  O78  1  0.1882  0.4447  0.7508  1
  O  O79  1  0.1916  0.9264  0.7601  1
  O  O80  1  0.1917  0.7067  0.3645  1
  O  O81  1  0.1932  0.2090  0.3672  1
  O  O82  1  0.1968  0.7087  0.8669  1
  O  O83  1  0.1981  0.2114  0.8742  1
  O  O84  1  0.3209  0.7980  0.6332  1
  O  O85  1  0.3248  0.2949  0.6302  1
  O  O86  1  0.3271  0.2843  0.1293  1
  O  O87  1  0.3302  0.7935  0.1359  1
  O  O88  1  0.3705  0.1183  0.4871  1
  O  O89  1  0.3729  0.1189  0.9923  1
  O  O90  1  0.3729  0.6178  0.4871  1
  O  O91  1  0.3794  0.6240  0.9948  1
  O  O92  1  0.3807  0.3752  0.5034  1
  O  O93  1  0.3820  0.8811  0.5088  1
  O  O94  1  0.3856  0.8828  0.0115  1
  O  O95  1  0.3867  0.3832  0.0176  1
  O  O96  1  0.4265  0.0712  0.2492  1
  O  O97  1  0.4285  0.0662  0.7424  1
  O  O98  1  0.4292  0.5814  0.2497  1
  O  O99  1  0.4407  0.9072  0.3644  1
  O  O100  1  0.4432  0.5801  0.7588  1
  O  O101  1  0.4471  0.4105  0.8690  1
  O  O102  1  0.4514  0.4008  0.3652  1
  O  O103  1  0.4528  0.9122  0.8665  1
  O  O104  1  0.5758  0.5884  0.6351  1
  O  O105  1  0.5778  0.0839  0.6338  1
  O  O106  1  0.5795  0.0931  0.1366  1
  O  O107  1  0.5804  0.5948  0.1358  1
  O  O108  1  0.6220  0.1194  0.4862  1
  O  O109  1  0.6234  0.6202  0.4882  1
  O  O110  1  0.6255  0.6204  0.9892  1
  O  O111  1  0.6294  0.1208  0.9955  1
  O  O112  1  0.6296  0.8737  0.5048  1
  O  O113  1  0.6350  0.8783  0.0129  1
  O  O114  1  0.6377  0.3812  0.0149  1
  O  O115  1  0.6380  0.3821  0.5100  1
  O  O116  1  0.6739  0.9213  0.7503  1
  O  O117  1  0.6748  0.9260  0.2500  1
  O  O118  1  0.6770  0.4267  0.2487  1
  O  O119  1  0.6858  0.4369  0.7594  1
  O  O120  1  0.6892  0.2049  0.8643  1
  O  O121  1  0.6892  0.2055  0.3638  1
  O  O122  1  0.6934  0.7054  0.3630  1
  O  O123  1  0.7018  0.7154  0.8677  1
  O  O124  1  0.8225  0.7971  0.6337  1
  O  O125  1  0.8255  0.3018  0.6359  1
  O  O126  1  0.8280  0.7857  0.1347  1
  O  O127  1  0.8334  0.2924  0.1371  1
  O  O128  1  0.8717  0.6171  0.4877  1
  O  O129  1  0.8742  0.6178  0.9889  1
  O  O130  1  0.8745  0.1181  0.9879  1
  O  O131  1  0.8747  0.1163  0.4899  1
  O  O132  1  0.8804  0.3824  0.5038  1
  O  O133  1  0.8809  0.8769  0.5009  1
  O  O134  1  0.8855  0.3814  0.0112  1
  O  O135  1  0.8882  0.8840  0.0157  1
  O  O136  1  0.9217  0.5785  0.2485  1
  O  O137  1  0.9243  0.0541  0.2391  1
  O  O138  1  0.9261  0.5776  0.7520  1
  O  O139  1  0.9311  0.0643  0.7584  1
  O  O140  1  0.9426  0.4153  0.3620  1
  O  O141  1  0.9438  0.9038  0.8668  1
  O  O142  1  0.9440  0.9117  0.3631  1
  O  O143  1  0.9457  0.4055  0.8660  1
]