data_[Ba4Sr28Ti20Mn12O80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [11.2842]
_cell_length_b [11.4607]
_cell_length_c [18.0207]
_cell_angle_alpha [108.3188]
_cell_angle_beta [108.0056]
_cell_angle_gamma [90.2565]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaSr7Ti5Mn3O20]
_chemical_formula_sum '[Ba4 Sr28 Ti20 Mn12 O80]'
_cell_volume [2090.7026]
_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
[
  Ba  Ba0  1  0.1896  0.9504  0.8829  1
  Ba  Ba1  1  0.6844  0.4438  0.8828  1
  Ba  Ba2  1  0.6919  0.9464  0.8841  1
  Ba  Ba3  1  0.9418  0.6886  0.8873  1
  Sr  Sr4  1  0.0493  0.3121  0.1133  1
  Sr  Sr5  1  0.0516  0.3100  0.6068  1
  Sr  Sr6  1  0.0531  0.8153  0.6068  1
  Sr  Sr7  1  0.0546  0.8092  0.1116  1
  Sr  Sr8  1  0.1928  0.4559  0.3923  1
  Sr  Sr9  1  0.1947  0.4515  0.8922  1
  Sr  Sr10  1  0.1971  0.9474  0.3890  1
  Sr  Sr11  1  0.2997  0.0412  0.6040  1
  Sr  Sr12  1  0.3015  0.5503  0.6119  1
  Sr  Sr13  1  0.3033  0.5563  0.1140  1
  Sr  Sr14  1  0.3102  0.0462  0.1114  1
  Sr  Sr15  1  0.4384  0.6877  0.8883  1
  Sr  Sr16  1  0.4392  0.6876  0.3912  1
  Sr  Sr17  1  0.4395  0.1885  0.3903  1
  Sr  Sr18  1  0.4471  0.1907  0.8972  1
  Sr  Sr19  1  0.5494  0.3086  0.6089  1
  Sr  Sr20  1  0.5511  0.8154  0.1103  1
  Sr  Sr21  1  0.5515  0.8106  0.6065  1
  Sr  Sr22  1  0.5582  0.3070  0.1128  1
  Sr  Sr23  1  0.6871  0.9479  0.3889  1
  Sr  Sr24  1  0.6934  0.4517  0.3900  1
  Sr  Sr25  1  0.7960  0.0481  0.1101  1
  Sr  Sr26  1  0.7984  0.5398  0.6053  1
  Sr  Sr27  1  0.7990  0.0470  0.6066  1
  Sr  Sr28  1  0.8016  0.5486  0.1110  1
  Sr  Sr29  1  0.9424  0.1940  0.3881  1
  Sr  Sr30  1  0.9439  0.1902  0.8933  1
  Sr  Sr31  1  0.9463  0.6841  0.3897  1
  Ti  Ti32  1  0.0027  0.5051  0.0140  1
  Ti  Ti33  1  0.0053  0.0084  0.0183  1
  Ti  Ti34  1  0.1621  0.1705  0.7491  1
  Ti  Ti35  1  0.2401  0.2455  0.4918  1
  Ti  Ti36  1  0.2470  0.7492  0.5016  1
  Ti  Ti37  1  0.2490  0.7506  0.0016  1
  Ti  Ti38  1  0.2524  0.2596  0.0118  1
  Ti  Ti39  1  0.3682  0.3287  0.7451  1
  Ti  Ti40  1  0.4944  0.5000  0.5012  1
  Ti  Ti41  1  0.4960  0.9995  0.5003  1
  Ti  Ti42  1  0.4971  0.9979  0.9992  1
  Ti  Ti43  1  0.5018  0.5067  0.0152  1
  Ti  Ti44  1  0.7376  0.2410  0.4864  1
  Ti  Ti45  1  0.7411  0.7446  0.4917  1
  Ti  Ti46  1  0.7445  0.7514  0.0023  1
  Ti  Ti47  1  0.7476  0.2510  0.0022  1
  Ti  Ti48  1  0.8848  0.8341  0.7400  1
  Ti  Ti49  1  0.8906  0.3322  0.7499  1
  Ti  Ti50  1  0.9905  0.9973  0.4890  1
  Ti  Ti51  1  0.9968  0.5013  0.5017  1
  Mn  Mn52  1  0.1402  0.6422  0.7480  1
  Mn  Mn53  1  0.1431  0.6600  0.2548  1
  Mn  Mn54  1  0.1459  0.1634  0.2538  1
  Mn  Mn55  1  0.3857  0.8485  0.7478  1
  Mn  Mn56  1  0.3918  0.8448  0.2515  1
  Mn  Mn57  1  0.3935  0.3447  0.2538  1
  Mn  Mn58  1  0.6267  0.6533  0.7463  1
  Mn  Mn59  1  0.6298  0.1443  0.7480  1
  Mn  Mn60  1  0.6397  0.1568  0.2478  1
  Mn  Mn61  1  0.6443  0.6608  0.2518  1
  Mn  Mn62  1  0.8904  0.8413  0.2485  1
  Mn  Mn63  1  0.8911  0.3451  0.2513  1
  O  O64  1  0.0420  0.7975  0.7385  1
  O  O65  1  0.0500  0.3048  0.7468  1
  O  O66  1  0.0507  0.5380  0.6249  1
  O  O67  1  0.0568  0.0495  0.1315  1
  O  O68  1  0.0572  0.5454  0.1291  1
  O  O69  1  0.0733  0.8251  0.2508  1
  O  O70  1  0.0739  0.0581  0.6432  1
  O  O71  1  0.0756  0.3277  0.2533  1
  O  O72  1  0.1133  0.8765  0.4918  1
  O  O73  1  0.1167  0.3732  0.9929  1
  O  O74  1  0.1168  0.3709  0.4924  1
  O  O75  1  0.1191  0.8792  0.9975  1
  O  O76  1  0.1225  0.1280  0.5068  1
  O  O77  1  0.1226  0.6265  0.5083  1
  O  O78  1  0.1229  0.1293  0.0053  1
  O  O79  1  0.1246  0.6237  0.0080  1
  O  O80  1  0.1768  0.6711  0.3770  1
  O  O81  1  0.1779  0.1669  0.3750  1
  O  O82  1  0.1817  0.6688  0.8747  1
  O  O83  1  0.1821  0.1792  0.8591  1
  O  O84  1  0.2947  0.8310  0.6227  1
  O  O85  1  0.2973  0.3450  0.6411  1
  O  O86  1  0.3026  0.3341  0.1271  1
  O  O87  1  0.3033  0.8264  0.1254  1
  O  O88  1  0.3167  0.6839  0.7500  1
  O  O89  1  0.3243  0.6771  0.2529  1
  O  O90  1  0.3257  0.1749  0.2502  1
  O  O91  1  0.3342  0.1610  0.7504  1
  O  O92  1  0.3650  0.3680  0.4945  1
  O  O93  1  0.3675  0.8706  0.4928  1
  O  O94  1  0.3676  0.3741  0.9945  1
  O  O95  1  0.3687  0.8691  0.9944  1
  O  O96  1  0.3729  0.1319  0.5091  1
  O  O97  1  0.3731  0.1359  0.0079  1
  O  O98  1  0.3741  0.6298  0.5086  1
  O  O99  1  0.3758  0.6271  0.0077  1
  O  O100  1  0.4043  0.4486  0.8479  1
  O  O101  1  0.4298  0.4557  0.3780  1
  O  O102  1  0.4303  0.9587  0.3760  1
  O  O103  1  0.4322  0.9571  0.8767  1
  O  O104  1  0.5333  0.2950  0.7399  1
  O  O105  1  0.5509  0.0477  0.1251  1
  O  O106  1  0.5521  0.5381  0.6246  1
  O  O107  1  0.5530  0.5446  0.1297  1
  O  O108  1  0.5576  0.0417  0.6239  1
  O  O109  1  0.5590  0.8149  0.7396  1
  O  O110  1  0.5743  0.8248  0.2499  1
  O  O111  1  0.5744  0.3262  0.2519  1
  O  O112  1  0.6152  0.3754  0.9967  1
  O  O113  1  0.6171  0.8731  0.9964  1
  O  O114  1  0.6183  0.8713  0.4915  1
  O  O115  1  0.6192  0.3682  0.4931  1
  O  O116  1  0.6203  0.6248  0.0067  1
  O  O117  1  0.6264  0.1302  0.0089  1
  O  O118  1  0.6273  0.1306  0.5092  1
  O  O119  1  0.6279  0.6297  0.5094  1
  O  O120  1  0.6774  0.1649  0.3725  1
  O  O121  1  0.6776  0.6778  0.8742  1
  O  O122  1  0.6801  0.6705  0.3754  1
  O  O123  1  0.6823  0.1803  0.8760  1
  O  O124  1  0.8019  0.8269  0.1240  1
  O  O125  1  0.8045  0.8516  0.6389  1
  O  O126  1  0.8058  0.3537  0.6510  1
  O  O127  1  0.8066  0.3318  0.1260  1
  O  O128  1  0.8072  0.6929  0.7398  1
  O  O129  1  0.8159  0.1892  0.7495  1
  O  O130  1  0.8225  0.1753  0.2494  1
  O  O131  1  0.8255  0.6745  0.2512  1
  O  O132  1  0.8638  0.3667  0.4938  1
  O  O133  1  0.8698  0.8743  0.4970  1
  O  O134  1  0.8726  0.3725  0.9952  1
  O  O135  1  0.8740  0.1318  0.5099  1
  O  O136  1  0.8741  0.8764  0.9978  1
  O  O137  1  0.8741  0.6335  0.5097  1
  O  O138  1  0.8773  0.6267  0.0085  1
  O  O139  1  0.8800  0.1303  0.0086  1
  O  O140  1  0.9130  0.9538  0.8411  1
  O  O141  1  0.9198  0.4444  0.8541  1
  O  O142  1  0.9239  0.9586  0.3740  1
  O  O143  1  0.9251  0.4540  0.3767  1
]