data_[K20Na12Ta28Nb4O80]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [11.3888]
_cell_length_b [11.4998]
_cell_length_c [17.7784]
_cell_angle_alpha [71.1797]
_cell_angle_beta [71.3786]
_cell_angle_gamma [89.7520]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K5Na3Ta7NbO20]
_chemical_formula_sum '[K20 Na12 Ta28 Nb4 O80]'
_cell_volume [2075.8787]
_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
[
  K  K0  1  0.0563  0.8128  0.8788  1
  K  K1  1  0.0573  0.8115  0.3748  1
  K  K2  1  0.0630  0.3109  0.8785  1
  K  K3  1  0.1772  0.4360  0.1220  1
  K  K4  1  0.1834  0.9380  0.1244  1
  K  K5  1  0.1867  0.9424  0.6199  1
  K  K6  1  0.3072  0.0585  0.8800  1
  K  K7  1  0.3143  0.5615  0.8777  1
  K  K8  1  0.4362  0.1892  0.6189  1
  K  K9  1  0.4412  0.6885  0.6223  1
  K  K10  1  0.4431  0.1970  0.1273  1
  K  K11  1  0.5572  0.8171  0.8770  1
  K  K12  1  0.5648  0.3158  0.8803  1
  K  K13  1  0.6828  0.9428  0.6228  1
  K  K14  1  0.6944  0.4444  0.6183  1
  K  K15  1  0.8078  0.0663  0.8788  1
  K  K16  1  0.8134  0.5636  0.8778  1
  K  K17  1  0.9412  0.6862  0.1280  1
  K  K18  1  0.9422  0.6907  0.6196  1
  K  K19  1  0.9553  0.1996  0.1122  1
  Na  Na20  1  0.0439  0.3011  0.3858  1
  Na  Na21  1  0.1863  0.4400  0.6154  1
  Na  Na22  1  0.3076  0.0554  0.3878  1
  Na  Na23  1  0.3162  0.5622  0.3951  1
  Na  Na24  1  0.4607  0.7054  0.1058  1
  Na  Na25  1  0.5370  0.3125  0.3931  1
  Na  Na26  1  0.5425  0.8064  0.3889  1
  Na  Na27  1  0.6843  0.9487  0.1108  1
  Na  Na28  1  0.6878  0.4566  0.1055  1
  Na  Na29  1  0.8104  0.5500  0.3865  1
  Na  Na30  1  0.8159  0.0574  0.3955  1
  Na  Na31  1  0.9476  0.1964  0.6154  1
  Ta  Ta32  1  0.0034  0.5034  0.4928  1
  Ta  Ta33  1  0.1236  0.1336  0.7469  1
  Ta  Ta34  1  0.1393  0.6100  0.7491  1
  Ta  Ta35  1  0.2480  0.7494  0.0049  1
  Ta  Ta36  1  0.2487  0.2541  0.4950  1
  Ta  Ta37  1  0.2494  0.7507  0.4989  1
  Ta  Ta38  1  0.2524  0.2515  0.0009  1
  Ta  Ta39  1  0.3535  0.8765  0.7506  1
  Ta  Ta40  1  0.3663  0.8751  0.2513  1
  Ta  Ta41  1  0.3764  0.3577  0.7493  1
  Ta  Ta42  1  0.4981  0.0029  0.0018  1
  Ta  Ta43  1  0.4982  0.5028  0.0027  1
  Ta  Ta44  1  0.4985  0.5016  0.4994  1
  Ta  Ta45  1  0.5001  0.0030  0.4969  1
  Ta  Ta46  1  0.6256  0.1482  0.7490  1
  Ta  Ta47  1  0.6390  0.6491  0.2518  1
  Ta  Ta48  1  0.6439  0.6266  0.7499  1
  Ta  Ta49  1  0.6717  0.1601  0.2519  1
  Ta  Ta50  1  0.7484  0.7531  0.0005  1
  Ta  Ta51  1  0.7490  0.7526  0.4977  1
  Ta  Ta52  1  0.7499  0.2520  0.4974  1
  Ta  Ta53  1  0.7520  0.2538  0.9995  1
  Ta  Ta54  1  0.8490  0.9046  0.2516  1
  Ta  Ta55  1  0.8594  0.8937  0.7486  1
  Ta  Ta56  1  0.8803  0.3760  0.7452  1
  Ta  Ta57  1  0.9980  0.0028  0.0004  1
  Ta  Ta58  1  0.9985  0.5021  0.0016  1
  Ta  Ta59  1  0.9988  0.0014  0.4989  1
  Nb  Nb60  1  0.1363  0.1293  0.2521  1
  Nb  Nb61  1  0.1844  0.6001  0.2507  1
  Nb  Nb62  1  0.3374  0.4054  0.2511  1
  Nb  Nb63  1  0.8238  0.3619  0.2518  1
  O  O64  1  0.0459  0.0640  0.3751  1
  O  O65  1  0.0537  0.0650  0.8729  1
  O  O66  1  0.0577  0.5646  0.8716  1
  O  O67  1  0.0578  0.5606  0.3659  1
  O  O68  1  0.1212  0.8748  0.0035  1
  O  O69  1  0.1229  0.6261  0.0009  1
  O  O70  1  0.1269  0.3798  0.9971  1
  O  O71  1  0.1270  0.1270  0.9970  1
  O  O72  1  0.1273  0.3806  0.4926  1
  O  O73  1  0.1273  0.1327  0.4910  1
  O  O74  1  0.1283  0.8803  0.4943  1
  O  O75  1  0.1289  0.6267  0.4942  1
  O  O76  1  0.1726  0.1911  0.6242  1
  O  O77  1  0.1781  0.6885  0.6272  1
  O  O78  1  0.1830  0.6776  0.1325  1
  O  O79  1  0.1866  0.1853  0.1259  1
  O  O80  1  0.2370  0.2646  0.2545  1
  O  O81  1  0.2423  0.7713  0.2497  1
  O  O82  1  0.2460  0.7499  0.7482  1
  O  O83  1  0.2464  0.0059  0.7475  1
  O  O84  1  0.2472  0.2522  0.7470  1
  O  O85  1  0.2539  0.4933  0.7460  1
  O  O86  1  0.2879  0.0195  0.2604  1
  O  O87  1  0.3142  0.8163  0.8726  1
  O  O88  1  0.3259  0.3248  0.3705  1
  O  O89  1  0.3263  0.8044  0.3746  1
  O  O90  1  0.3263  0.3136  0.8702  1
  O  O91  1  0.3601  0.5785  0.2516  1
  O  O92  1  0.3697  0.6214  0.5069  1
  O  O93  1  0.3710  0.3769  0.5028  1
  O  O94  1  0.3735  0.8747  0.0050  1
  O  O95  1  0.3745  0.1289  0.4960  1
  O  O96  1  0.3746  0.3768  0.0028  1
  O  O97  1  0.3750  0.6292  0.0019  1
  O  O98  1  0.3759  0.1264  0.0024  1
  O  O99  1  0.3765  0.8787  0.4961  1
  O  O100  1  0.4378  0.4465  0.1293  1
  O  O101  1  0.4383  0.9392  0.6244  1
  O  O102  1  0.4450  0.9398  0.1281  1
  O  O103  1  0.4511  0.4346  0.6248  1
  O  O104  1  0.5377  0.5722  0.3697  1
  O  O105  1  0.5568  0.0703  0.8716  1
  O  O106  1  0.5587  0.0739  0.3652  1
  O  O107  1  0.5609  0.5669  0.8726  1
  O  O108  1  0.6242  0.8785  0.0002  1
  O  O109  1  0.6246  0.6295  0.0004  1
  O  O110  1  0.6253  0.3786  0.0039  1
  O  O111  1  0.6257  0.1281  0.4946  1
  O  O112  1  0.6260  0.8804  0.4928  1
  O  O113  1  0.6261  0.1276  0.0029  1
  O  O114  1  0.6265  0.6299  0.4911  1
  O  O115  1  0.6292  0.3831  0.4866  1
  O  O116  1  0.6446  0.3266  0.2510  1
  O  O117  1  0.6643  0.6864  0.1329  1
  O  O118  1  0.6746  0.1954  0.6251  1
  O  O119  1  0.6810  0.6877  0.6260  1
  O  O120  1  0.6892  0.1888  0.1358  1
  O  O121  1  0.7457  0.5192  0.2578  1
  O  O122  1  0.7502  0.0157  0.7465  1
  O  O123  1  0.7532  0.2572  0.7481  1
  O  O124  1  0.7558  0.5014  0.7490  1
  O  O125  1  0.7573  0.7528  0.7493  1
  O  O126  1  0.7644  0.7536  0.2518  1
  O  O127  1  0.8120  0.0606  0.2624  1
  O  O128  1  0.8159  0.8194  0.3709  1
  O  O129  1  0.8163  0.8193  0.8736  1
  O  O130  1  0.8191  0.3029  0.3696  1
  O  O131  1  0.8200  0.3153  0.8741  1
  O  O132  1  0.8685  0.8747  0.0080  1
  O  O133  1  0.8698  0.6258  0.0051  1
  O  O134  1  0.8706  0.8757  0.5019  1
  O  O135  1  0.8720  0.3782  0.0023  1
  O  O136  1  0.8721  0.1261  0.5043  1
  O  O137  1  0.8722  0.1262  0.0036  1
  O  O138  1  0.8741  0.6257  0.4965  1
  O  O139  1  0.8755  0.3754  0.4966  1
  O  O140  1  0.9280  0.4315  0.1301  1
  O  O141  1  0.9314  0.9484  0.1308  1
  O  O142  1  0.9439  0.9408  0.6276  1
  O  O143  1  0.9484  0.4360  0.6234  1
]