data_[Na6Sc12Si9Ge12S27O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.6592]
_cell_length_b [14.9276]
_cell_length_c [22.4952]
_cell_angle_alpha [90.9614]
_cell_angle_beta [90.2638]
_cell_angle_gamma [90.1279]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Sc4Si3Ge4(S3O16)3]
_chemical_formula_sum '[Na6 Sc12 Si9 Ge12 S27 O144]'
_cell_volume [2907.2973]
_cell_formula_units_Z [3]
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
[
  Na  Na0  1  0.0162  0.9947  0.4989  1
  Na  Na1  1  0.4855  0.4954  0.9961  1
  Na  Na2  1  0.5012  0.8291  0.1697  1
  Na  Na3  1  0.5067  0.8195  0.6662  1
  Na  Na4  1  0.9928  0.3262  0.1628  1
  Na  Na5  1  0.9985  0.3307  0.6704  1
  Sc  Sc6  1  0.0045  0.3267  0.0185  1
  Sc  Sc7  1  0.0087  0.9999  0.3558  1
  Sc  Sc8  1  0.4851  0.5036  0.8543  1
  Sc  Sc9  1  0.4963  0.8275  0.5201  1
  Sc  Sc10  1  0.5021  0.5080  0.1491  1
  Sc  Sc11  1  0.5050  0.8416  0.0169  1
  Sc  Sc12  1  0.5102  0.1649  0.6967  1
  Sc  Sc13  1  0.5106  0.1693  0.1887  1
  Sc  Sc14  1  0.9885  0.6637  0.1960  1
  Sc  Sc15  1  0.9917  0.3417  0.5184  1
  Sc  Sc16  1  0.9954  0.6691  0.6927  1
  Sc  Sc17  1  0.9978  0.0079  0.6504  1
  Si  Si18  1  0.1395  0.4784  0.9186  1
  Si  Si19  1  0.3607  0.6526  0.7529  1
  Si  Si20  1  0.3658  0.9803  0.4182  1
  Si  Si21  1  0.6312  0.6522  0.2554  1
  Si  Si22  1  0.6468  0.9784  0.9138  1
  Si  Si23  1  0.7090  0.6641  0.5859  1
  Si  Si24  1  0.7923  0.1643  0.0847  1
  Si  Si25  1  0.8528  0.4826  0.4156  1
  Si  Si26  1  0.8688  0.1515  0.7554  1
  Ge  Ge27  1  0.0022  0.3393  0.3200  1
  Ge  Ge28  1  0.0054  0.6641  0.9740  1
  Ge  Ge29  1  0.4961  0.8354  0.8154  1
  Ge  Ge30  1  0.4969  0.1646  0.4787  1
  Ge  Ge31  1  0.5059  0.8321  0.3218  1
  Ge  Ge32  1  0.5081  0.5204  0.6479  1
  Ge  Ge33  1  0.5181  0.5077  0.3563  1
  Ge  Ge34  1  0.5263  0.1591  0.9754  1
  Ge  Ge35  1  0.9809  0.6556  0.4831  1
  Ge  Ge36  1  0.9824  0.0063  0.8555  1
  Ge  Ge37  1  0.9913  0.0031  0.1428  1
  Ge  Ge38  1  0.9979  0.3372  0.8167  1
  S  S39  1  0.1347  0.8086  0.5798  1
  S  S40  1  0.1350  0.1509  0.2506  1
  S  S41  1  0.1522  0.8623  0.2458  1
  S  S42  1  0.1562  0.1829  0.9147  1
  S  S43  1  0.1563  0.5237  0.5848  1
  S  S44  1  0.2016  0.8346  0.9146  1
  S  S45  1  0.2134  0.4912  0.2549  1
  S  S46  1  0.2156  0.1660  0.5807  1
  S  S47  1  0.2827  0.6666  0.0811  1
  S  S48  1  0.2849  0.9949  0.7547  1
  S  S49  1  0.2961  0.3343  0.4141  1
  S  S50  1  0.3432  0.0223  0.0855  1
  S  S51  1  0.3457  0.6835  0.4145  1
  S  S52  1  0.3467  0.3613  0.7465  1
  S  S53  1  0.3642  0.3086  0.0805  1
  S  S54  1  0.6336  0.3103  0.5831  1
  S  S55  1  0.6456  0.0261  0.5809  1
  S  S56  1  0.6534  0.3583  0.2555  1
  S  S57  1  0.6561  0.6897  0.9191  1
  S  S58  1  0.7061  0.3284  0.9172  1
  S  S59  1  0.7130  0.9950  0.2489  1
  S  S60  1  0.7862  0.4937  0.7499  1
  S  S61  1  0.7953  0.8278  0.4180  1
  S  S62  1  0.8463  0.1916  0.4170  1
  S  S63  1  0.8502  0.8604  0.7547  1
  S  S64  1  0.8549  0.5257  0.0803  1
  S  S65  1  0.8638  0.8111  0.0841  1
  O  O66  1  0.0565  0.2419  0.2580  1
  O  O67  1  0.0567  0.5782  0.9244  1
  O  O68  1  0.0585  0.4308  0.8575  1
  O  O69  1  0.0607  0.1110  0.1959  1
  O  O70  1  0.0612  0.8983  0.5825  1
  O  O71  1  0.0738  0.7640  0.5230  1
  O  O72  1  0.0742  0.2177  0.9671  1
  O  O73  1  0.0817  0.9010  0.2992  1
  O  O74  1  0.0848  0.5646  0.6364  1
  O  O75  1  0.0871  0.7728  0.2373  1
  O  O76  1  0.0877  0.4324  0.5780  1
  O  O77  1  0.0962  0.0894  0.9055  1
  O  O78  1  0.0981  0.7552  0.9237  1
  O  O79  1  0.1052  0.7585  0.6329  1
  O  O80  1  0.1065  0.4191  0.9752  1
  O  O81  1  0.1070  0.0974  0.3031  1
  O  O82  1  0.1074  0.9146  0.9043  1
  O  O83  1  0.1132  0.5690  0.2482  1
  O  O84  1  0.1144  0.4068  0.2593  1
  O  O85  1  0.1162  0.2453  0.5749  1
  O  O86  1  0.1200  0.0833  0.5820  1
  O  O87  1  0.1233  0.9199  0.1918  1
  O  O88  1  0.1298  0.2398  0.8620  1
  O  O89  1  0.1328  0.5759  0.5288  1
  O  O90  1  0.1716  0.0121  0.0932  1
  O  O91  1  0.1751  0.3551  0.7530  1
  O  O92  1  0.1789  0.6794  0.4237  1
  O  O93  1  0.1814  0.9955  0.4089  1
  O  O94  1  0.1837  0.6681  0.7398  1
  O  O95  1  0.1867  0.6557  0.0249  1
  O  O96  1  0.1890  0.0067  0.8081  1
  O  O97  1  0.1898  0.6759  0.1346  1
  O  O98  1  0.1935  0.9776  0.6998  1
  O  O99  1  0.1953  0.3192  0.0775  1
  O  O100  1  0.1957  0.3085  0.3597  1
  O  O101  1  0.1991  0.3504  0.4661  1
  O  O102  1  0.2961  0.8501  0.9682  1
  O  O103  1  0.2990  0.8106  0.8619  1
  O  O104  1  0.2999  0.1629  0.2426  1
  O  O105  1  0.3035  0.8195  0.5759  1
  O  O106  1  0.3042  0.4742  0.2004  1
  O  O107  1  0.3098  0.5040  0.3083  1
  O  O108  1  0.3100  0.1539  0.5241  1
  O  O109  1  0.3100  0.1755  0.6336  1
  O  O110  1  0.3214  0.8563  0.2518  1
  O  O111  1  0.3236  0.4902  0.9141  1
  O  O112  1  0.3248  0.1788  0.9252  1
  O  O113  1  0.3262  0.5128  0.5914  1
  O  O114  1  0.3652  0.0741  0.0313  1
  O  O115  1  0.3726  0.7407  0.3607  1
  O  O116  1  0.3752  0.4173  0.6931  1
  O  O117  1  0.3770  0.5833  0.0826  1
  O  O118  1  0.3812  0.0746  0.7480  1
  O  O119  1  0.3838  0.7454  0.0762  1
  O  O120  1  0.3853  0.9136  0.7591  1
  O  O121  1  0.3877  0.4148  0.4023  1
  O  O122  1  0.3889  0.9183  0.4739  1
  O  O123  1  0.3911  0.5929  0.8095  1
  O  O124  1  0.3931  0.2581  0.1349  1
  O  O125  1  0.3980  0.2555  0.4223  1
  O  O126  1  0.4057  0.5902  0.4046  1
  O  O127  1  0.4058  0.2702  0.7371  1
  O  O128  1  0.4107  0.0637  0.1392  1
  O  O129  1  0.4108  0.9310  0.0806  1
  O  O130  1  0.4181  0.3957  0.8010  1
  O  O131  1  0.4255  0.2645  0.0254  1
  O  O132  1  0.4308  0.7188  0.4659  1
  O  O133  1  0.4381  0.3983  0.0854  1
  O  O134  1  0.4437  0.9313  0.3566  1
  O  O135  1  0.4458  0.0808  0.4260  1
  O  O136  1  0.4480  0.6104  0.6926  1
  O  O137  1  0.4520  0.7512  0.7621  1
  O  O138  1  0.5491  0.6126  0.1951  1
  O  O139  1  0.5499  0.7519  0.2659  1
  O  O140  1  0.5570  0.9285  0.8573  1
  O  O141  1  0.5579  0.0747  0.9215  1
  O  O142  1  0.5593  0.3972  0.5896  1
  O  O143  1  0.5662  0.2690  0.5251  1
  O  O144  1  0.5749  0.9374  0.5751  1
  O  O145  1  0.5794  0.7275  0.9721  1
  O  O146  1  0.5819  0.2699  0.2502  1
  O  O147  1  0.5826  0.0678  0.6345  1
  O  O148  1  0.5835  0.4007  0.3089  1
  O  O149  1  0.5947  0.7485  0.5785  1
  O  O150  1  0.6016  0.2485  0.9223  1
  O  O151  1  0.6032  0.5866  0.3107  1
  O  O152  1  0.6042  0.5966  0.9132  1
  O  O153  1  0.6080  0.2524  0.6337  1
  O  O154  1  0.6112  0.4083  0.9106  1
  O  O155  1  0.6120  0.5681  0.5900  1
  O  O156  1  0.6132  0.0726  0.2419  1
  O  O157  1  0.6178  0.9126  0.2535  1
  O  O158  1  0.6200  0.0824  0.5265  1
  O  O159  1  0.6212  0.9206  0.9726  1
  O  O160  1  0.6285  0.7428  0.8653  1
  O  O161  1  0.6319  0.4121  0.2016  1
  O  O162  1  0.6661  0.4891  0.4075  1
  O  O163  1  0.6766  0.1897  0.4248  1
  O  O164  1  0.6791  0.8553  0.7605  1
  O  O165  1  0.6833  0.1471  0.0246  1
  O  O166  1  0.6841  0.5169  0.0846  1
  O  O167  1  0.6859  0.1616  0.7461  1
  O  O168  1  0.6888  0.1798  0.1432  1
  O  O169  1  0.6895  0.4747  0.6945  1
  O  O170  1  0.6942  0.5041  0.8032  1
  O  O171  1  0.6945  0.8228  0.0793  1
  O  O172  1  0.6987  0.8437  0.4698  1
  O  O173  1  0.6997  0.8100  0.3624  1
  O  O174  1  0.7993  0.3400  0.9709  1
  O  O175  1  0.8016  0.3100  0.8631  1
  O  O176  1  0.8044  0.3182  0.5769  1
  O  O177  1  0.8086  0.0092  0.3017  1
  O  O178  1  0.8111  0.9779  0.1939  1
  O  O179  1  0.8119  0.6810  0.6434  1
  O  O180  1  0.8125  0.6479  0.5244  1
  O  O181  1  0.8141  0.6624  0.2461  1
  O  O182  1  0.8158  0.0174  0.5844  1
  O  O183  1  0.8269  0.3472  0.2613  1
  O  O184  1  0.8282  0.6912  0.9276  1
  O  O185  1  0.8324  0.9881  0.9062  1
  O  O186  1  0.8745  0.2460  0.3622  1
  O  O187  1  0.8760  0.9141  0.7008  1
  O  O188  1  0.8786  0.4201  0.4720  1
  O  O189  1  0.8810  0.5827  0.0269  1
  O  O190  1  0.8847  0.4108  0.7537  1
  O  O191  1  0.8853  0.5712  0.7431  1
  O  O192  1  0.8887  0.9098  0.4099  1
  O  O193  1  0.8920  0.7564  0.1361  1
  O  O194  1  0.8934  0.0715  0.0934  1
  O  O195  1  0.8971  0.0864  0.8109  1
  O  O196  1  0.8974  0.7500  0.4238  1
  O  O197  1  0.9035  0.2497  0.0797  1
  O  O198  1  0.9041  0.0999  0.4085  1
  O  O199  1  0.9157  0.7717  0.7501  1
  O  O200  1  0.9176  0.5673  0.1348  1
  O  O201  1  0.9245  0.4369  0.0755  1
  O  O202  1  0.9257  0.9015  0.8082  1
  O  O203  1  0.9261  0.2281  0.4695  1
  O  O204  1  0.9304  0.7721  0.0283  1
  O  O205  1  0.9406  0.4364  0.3571  1
  O  O206  1  0.9410  0.9004  0.0914  1
  O  O207  1  0.9419  0.5785  0.4245  1
  O  O208  1  0.9493  0.2509  0.7659  1
  O  O209  1  0.9498  0.1132  0.6948  1
]