data_[Sr4Ca28Mn24Cr8O88]
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
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [10.8727]
_cell_length_b [10.8758]
_cell_length_c [15.5857]
_cell_angle_alpha [89.9659]
_cell_angle_beta [89.5862]
_cell_angle_gamma [89.5208]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrCa7Mn6Cr2O22]
_chemical_formula_sum '[Sr4 Ca28 Mn24 Cr8 O88]'
_cell_volume [1842.8697]
_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  0.0025  0.5031  0.1150  1
  Sr  Sr1  1  0.4999  0.9988  0.3870  1
  Sr  Sr2  1  0.7575  0.2531  0.3922  1
  Sr  Sr3  1  0.7721  0.2347  0.1148  1
  Ca  Ca4  1  0.0060  0.0061  0.1086  1
  Ca  Ca5  1  0.0302  0.0092  0.8715  1
  Ca  Ca6  1  0.0310  0.5049  0.8719  1
  Ca  Ca7  1  0.0350  0.0030  0.3882  1
  Ca  Ca8  1  0.0384  0.5012  0.3879  1
  Ca  Ca9  1  0.2198  0.7524  0.1190  1
  Ca  Ca10  1  0.2245  0.2480  0.1171  1
  Ca  Ca11  1  0.2299  0.2532  0.6255  1
  Ca  Ca12  1  0.2301  0.7563  0.6244  1
  Ca  Ca13  1  0.2575  0.2521  0.8621  1
  Ca  Ca14  1  0.2607  0.7490  0.8626  1
  Ca  Ca15  1  0.2636  0.2522  0.3899  1
  Ca  Ca16  1  0.2679  0.7476  0.3857  1
  Ca  Ca17  1  0.4534  0.9802  0.1264  1
  Ca  Ca18  1  0.4584  0.4840  0.1278  1
  Ca  Ca19  1  0.4776  0.4979  0.6245  1
  Ca  Ca20  1  0.4778  0.9986  0.6237  1
  Ca  Ca21  1  0.5019  0.5027  0.3912  1
  Ca  Ca22  1  0.5037  0.5015  0.8572  1
  Ca  Ca23  1  0.5047  0.0013  0.8572  1
  Ca  Ca24  1  0.7298  0.7579  0.6312  1
  Ca  Ca25  1  0.7310  0.2566  0.6319  1
  Ca  Ca26  1  0.7647  0.7439  0.3980  1
  Ca  Ca27  1  0.7725  0.7530  0.8697  1
  Ca  Ca28  1  0.7750  0.7410  0.1101  1
  Ca  Ca29  1  0.7756  0.2545  0.8714  1
  Ca  Ca30  1  0.9841  0.4951  0.6292  1
  Ca  Ca31  1  0.9844  0.9972  0.6297  1
  Mn  Mn32  1  0.2443  0.0019  0.2500  1
  Mn  Mn33  1  0.2492  0.0015  0.5043  1
  Mn  Mn34  1  0.2494  0.0007  0.7472  1
  Mn  Mn35  1  0.2495  0.5017  0.7469  1
  Mn  Mn36  1  0.2507  0.5030  0.2512  1
  Mn  Mn37  1  0.2512  0.5031  0.5049  1
  Mn  Mn38  1  0.2553  0.9947  0.9957  1
  Mn  Mn39  1  0.2581  0.4964  0.9976  1
  Mn  Mn40  1  0.4805  0.2530  0.2559  1
  Mn  Mn41  1  0.4855  0.7485  0.2543  1
  Mn  Mn42  1  0.4916  0.2338  0.9837  1
  Mn  Mn43  1  0.4926  0.7363  0.9845  1
  Mn  Mn44  1  0.4993  0.7538  0.7464  1
  Mn  Mn45  1  0.4996  0.2534  0.7470  1
  Mn  Mn46  1  0.5003  0.2519  0.5063  1
  Mn  Mn47  1  0.5034  0.7499  0.5055  1
  Mn  Mn48  1  0.7485  0.5050  0.7541  1
  Mn  Mn49  1  0.7488  0.0047  0.7538  1
  Mn  Mn50  1  0.7518  0.0029  0.5135  1
  Mn  Mn51  1  0.7526  0.5043  0.5140  1
  Mn  Mn52  1  0.9981  0.2512  0.7499  1
  Mn  Mn53  1  0.9984  0.7499  0.7490  1
  Mn  Mn54  1  0.9988  0.2503  0.5040  1
  Mn  Mn55  1  0.9991  0.7508  0.5029  1
  Cr  Cr56  1  0.0057  0.7564  0.9912  1
  Cr  Cr57  1  0.0079  0.2537  0.9935  1
  Cr  Cr58  1  0.0124  0.7668  0.2561  1
  Cr  Cr59  1  0.0201  0.2649  0.2562  1
  Cr  Cr60  1  0.7325  0.4573  0.2339  1
  Cr  Cr61  1  0.7372  0.9391  0.2344  1
  Cr  Cr62  1  0.7622  0.5149  0.9927  1
  Cr  Cr63  1  0.7627  0.0077  0.9913  1
  O  O64  1  0.0009  0.7301  0.1265  1
  O  O65  1  0.0069  0.2115  0.6269  1
  O  O66  1  0.0072  0.7099  0.6267  1
  O  O67  1  0.0076  0.2208  0.1301  1
  O  O68  1  0.0765  0.9266  0.2397  1
  O  O69  1  0.0926  0.4199  0.2447  1
  O  O70  1  0.1040  0.8944  0.5204  1
  O  O71  1  0.1057  0.8923  0.7307  1
  O  O72  1  0.1059  0.3951  0.5194  1
  O  O73  1  0.1068  0.3927  0.7301  1
  O  O74  1  0.1120  0.8901  0.0127  1
  O  O75  1  0.1219  0.3902  0.0139  1
  O  O76  1  0.1387  0.6414  0.7701  1
  O  O77  1  0.1393  0.1415  0.7689  1
  O  O78  1  0.1401  0.1439  0.4832  1
  O  O79  1  0.1424  0.6456  0.4814  1
  O  O80  1  0.1443  0.6524  0.2768  1
  O  O81  1  0.1515  0.1525  0.2797  1
  O  O82  1  0.1538  0.6477  0.9795  1
  O  O83  1  0.1569  0.1417  0.9761  1
  O  O84  1  0.2426  0.0325  0.1226  1
  O  O85  1  0.2504  0.5403  0.1258  1
  O  O86  1  0.2516  0.9647  0.3764  1
  O  O87  1  0.2524  0.9620  0.8727  1
  O  O88  1  0.2541  0.0367  0.6259  1
  O  O89  1  0.2542  0.4668  0.8727  1
  O  O90  1  0.2545  0.5407  0.6252  1
  O  O91  1  0.2567  0.4677  0.3779  1
  O  O92  1  0.3378  0.8516  0.2264  1
  O  O93  1  0.3393  0.3538  0.2226  1
  O  O94  1  0.3560  0.3591  0.7261  1
  O  O95  1  0.3562  0.8587  0.7255  1
  O  O96  1  0.3586  0.3606  0.5224  1
  O  O97  1  0.3602  0.8590  0.5182  1
  O  O98  1  0.3673  0.8431  0.0275  1
  O  O99  1  0.3740  0.3445  0.0296  1
  O  O100  1  0.3845  0.1167  0.4890  1
  O  O101  1  0.3882  0.1133  0.7660  1
  O  O102  1  0.3885  0.6135  0.7653  1
  O  O103  1  0.3909  0.6122  0.4867  1
  O  O104  1  0.4100  0.0787  0.9920  1
  O  O105  1  0.4116  0.0896  0.2496  1
  O  O106  1  0.4151  0.5847  0.2579  1
  O  O107  1  0.4152  0.5798  0.9925  1
  O  O108  1  0.4833  0.2917  0.8702  1
  O  O109  1  0.4835  0.7915  0.8695  1
  O  O110  1  0.5040  0.2774  0.3788  1
  O  O111  1  0.5119  0.7118  0.6277  1
  O  O112  1  0.5130  0.7685  0.3781  1
  O  O113  1  0.5132  0.2134  0.6285  1
  O  O114  1  0.6022  0.9000  0.7282  1
  O  O115  1  0.6025  0.4000  0.7289  1
  O  O116  1  0.6051  0.8526  0.1877  1
  O  O117  1  0.6061  0.3564  0.1965  1
  O  O118  1  0.6097  0.3952  0.5135  1
  O  O119  1  0.6107  0.8920  0.5179  1
  O  O120  1  0.6382  0.1362  0.4918  1
  O  O121  1  0.6411  0.6488  0.7744  1
  O  O122  1  0.6419  0.1488  0.7755  1
  O  O123  1  0.6442  0.6398  0.4914  1
  O  O124  1  0.6473  0.1573  0.9943  1
  O  O125  1  0.6524  0.6699  0.9944  1
  O  O126  1  0.7086  0.5313  0.3315  1
  O  O127  1  0.7175  0.4650  0.8818  1
  O  O128  1  0.7180  0.9616  0.8801  1
  O  O129  1  0.7223  0.0221  0.3292  1
  O  O130  1  0.7582  0.5357  0.1314  1
  O  O131  1  0.7663  0.0424  0.6362  1
  O  O132  1  0.7664  0.5434  0.6362  1
  O  O133  1  0.7810  0.0154  0.1353  1
  O  O134  1  0.8290  0.8017  0.2505  1
  O  O135  1  0.8448  0.3364  0.2464  1
  O  O136  1  0.8515  0.3552  0.7358  1
  O  O137  1  0.8519  0.8531  0.5209  1
  O  O138  1  0.8520  0.8543  0.7358  1
  O  O139  1  0.8539  0.3562  0.5236  1
  O  O140  1  0.8587  0.3663  0.0101  1
  O  O141  1  0.8587  0.8591  0.0083  1
  O  O142  1  0.8912  0.1066  0.7786  1
  O  O143  1  0.8915  0.6063  0.7795  1
  O  O144  1  0.8918  0.1041  0.4796  1
  O  O145  1  0.8924  0.6042  0.4765  1
  O  O146  1  0.9024  0.1074  0.9824  1
  O  O147  1  0.9032  0.6151  0.9791  1
  O  O148  1  0.9833  0.7910  0.3806  1
  O  O149  1  0.9880  0.2876  0.3813  1
  O  O150  1  0.9959  0.7937  0.8727  1
  O  O151  1  0.9969  0.2928  0.8704  1
]