data_[Na6In12Si9Ge12S27O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  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 [8.7139]
_cell_length_b [15.0906]
_cell_length_c [22.6587]
_cell_angle_alpha [90.9533]
_cell_angle_beta [90.6702]
_cell_angle_gamma [90.1216]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2In4Si3Ge4(S3O16)3]
_chemical_formula_sum '[Na6 In12 Si9 Ge12 S27 O144]'
_cell_volume [2978.9497]
_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  0.0193  0.9946  0.4970  1
  Na  Na1  1  0.4853  0.4954  0.9964  1
  Na  Na2  1  0.5032  0.8261  0.1706  1
  Na  Na3  1  0.5092  0.8195  0.6664  1
  Na  Na4  1  0.9889  0.3251  0.1626  1
  Na  Na5  1  0.9951  0.3270  0.6707  1
  In  In6  1  0.0042  0.3243  0.0161  1
  In  In7  1  0.0108  0.0010  0.3522  1
  In  In8  1  0.4837  0.5027  0.8522  1
  In  In9  1  0.4963  0.8256  0.5179  1
  In  In10  1  0.5001  0.8407  0.0150  1
  In  In11  1  0.5037  0.5061  0.1498  1
  In  In12  1  0.5092  0.1645  0.6952  1
  In  In13  1  0.5096  0.1690  0.1873  1
  In  In14  1  0.9888  0.6633  0.1943  1
  In  In15  1  0.9947  0.6693  0.6917  1
  In  In16  1  0.9962  0.0068  0.6507  1
  In  In17  1  0.9972  0.3402  0.5168  1
  Si  Si18  1  0.1405  0.4777  0.9191  1
  Si  Si19  1  0.3589  0.6542  0.7525  1
  Si  Si20  1  0.3647  0.9804  0.4185  1
  Si  Si21  1  0.6330  0.6534  0.2544  1
  Si  Si22  1  0.6496  0.9768  0.9151  1
  Si  Si23  1  0.7087  0.6649  0.5860  1
  Si  Si24  1  0.7926  0.1654  0.0848  1
  Si  Si25  1  0.8504  0.4825  0.4171  1
  Si  Si26  1  0.8678  0.1522  0.7543  1
  Ge  Ge27  1  0.0012  0.3412  0.3207  1
  Ge  Ge28  1  0.0024  0.3379  0.8150  1
  Ge  Ge29  1  0.0054  0.6629  0.9720  1
  Ge  Ge30  1  0.4960  0.8356  0.8151  1
  Ge  Ge31  1  0.4995  0.1651  0.4776  1
  Ge  Ge32  1  0.5034  0.8314  0.3222  1
  Ge  Ge33  1  0.5070  0.5225  0.6472  1
  Ge  Ge34  1  0.5174  0.5093  0.3545  1
  Ge  Ge35  1  0.5306  0.1588  0.9719  1
  Ge  Ge36  1  0.9778  0.6582  0.4816  1
  Ge  Ge37  1  0.9824  0.0068  0.8543  1
  Ge  Ge38  1  0.9904  0.0024  0.1407  1
  S  S39  1  0.1338  0.8129  0.5801  1
  S  S40  1  0.1391  0.1526  0.2486  1
  S  S41  1  0.1556  0.8611  0.2449  1
  S  S42  1  0.1588  0.5216  0.5846  1
  S  S43  1  0.1592  0.1798  0.9146  1
  S  S44  1  0.1974  0.8341  0.9137  1
  S  S45  1  0.2116  0.4900  0.2545  1
  S  S46  1  0.2156  0.1662  0.5791  1
  S  S47  1  0.2827  0.6674  0.0798  1
  S  S48  1  0.2869  0.9938  0.7542  1
  S  S49  1  0.2995  0.3339  0.4135  1
  S  S50  1  0.3412  0.0192  0.0859  1
  S  S51  1  0.3431  0.3594  0.7460  1
  S  S52  1  0.3435  0.6809  0.4140  1
  S  S53  1  0.3639  0.3130  0.0822  1
  S  S54  1  0.6356  0.3118  0.5826  1
  S  S55  1  0.6476  0.0256  0.5803  1
  S  S56  1  0.6547  0.3558  0.2566  1
  S  S57  1  0.6564  0.6875  0.9200  1
  S  S58  1  0.7019  0.3289  0.9163  1
  S  S59  1  0.7127  0.9949  0.2488  1
  S  S60  1  0.7854  0.4928  0.7503  1
  S  S61  1  0.7995  0.8279  0.4181  1
  S  S62  1  0.8457  0.1899  0.4173  1
  S  S63  1  0.8477  0.8595  0.7554  1
  S  S64  1  0.8532  0.5250  0.0793  1
  S  S65  1  0.8608  0.8130  0.0837  1
  O  O66  1  0.0550  0.5766  0.9236  1
  O  O67  1  0.0554  0.9015  0.5811  1
  O  O68  1  0.0597  0.4291  0.8583  1
  O  O69  1  0.0598  0.2419  0.2560  1
  O  O70  1  0.0652  0.1104  0.1951  1
  O  O71  1  0.0746  0.2084  0.9673  1
  O  O72  1  0.0764  0.7662  0.5239  1
  O  O73  1  0.0804  0.8945  0.2985  1
  O  O74  1  0.0887  0.5611  0.6367  1
  O  O75  1  0.0965  0.7539  0.9220  1
  O  O76  1  0.0967  0.4292  0.5801  1
  O  O77  1  0.1014  0.9118  0.9017  1
  O  O78  1  0.1016  0.7700  0.2364  1
  O  O79  1  0.1040  0.7650  0.6336  1
  O  O80  1  0.1079  0.0858  0.9028  1
  O  O81  1  0.1094  0.4077  0.2601  1
  O  O82  1  0.1125  0.4217  0.9768  1
  O  O83  1  0.1155  0.5693  0.2500  1
  O  O84  1  0.1165  0.2461  0.5752  1
  O  O85  1  0.1182  0.1013  0.3022  1
  O  O86  1  0.1215  0.0840  0.5788  1
  O  O87  1  0.1217  0.9182  0.1919  1
  O  O88  1  0.1300  0.5719  0.5291  1
  O  O89  1  0.1318  0.2384  0.8636  1
  O  O90  1  0.1685  0.0123  0.0923  1
  O  O91  1  0.1708  0.3599  0.7531  1
  O  O92  1  0.1775  0.6795  0.4237  1
  O  O93  1  0.1819  0.9978  0.4121  1
  O  O94  1  0.1836  0.6738  0.7400  1
  O  O95  1  0.1846  0.6605  0.0241  1
  O  O96  1  0.1886  0.0021  0.8061  1
  O  O97  1  0.1928  0.6763  0.1337  1
  O  O98  1  0.1930  0.3081  0.3607  1
  O  O99  1  0.1966  0.3272  0.0802  1
  O  O100  1  0.2029  0.9739  0.6977  1
  O  O101  1  0.2096  0.3528  0.4666  1
  O  O102  1  0.2828  0.8524  0.9694  1
  O  O103  1  0.2957  0.4708  0.1994  1
  O  O104  1  0.3002  0.8104  0.8635  1
  O  O105  1  0.3011  0.8259  0.5777  1
  O  O106  1  0.3042  0.1658  0.2408  1
  O  O107  1  0.3078  0.1749  0.6331  1
  O  O108  1  0.3110  0.1580  0.5236  1
  O  O109  1  0.3114  0.4989  0.3071  1
  O  O110  1  0.3233  0.4908  0.9162  1
  O  O111  1  0.3250  0.8607  0.2518  1
  O  O112  1  0.3282  0.1785  0.9260  1
  O  O113  1  0.3302  0.5145  0.5908  1
  O  O114  1  0.3675  0.0703  0.0327  1
  O  O115  1  0.3717  0.7401  0.3619  1
  O  O116  1  0.3743  0.5843  0.0794  1
  O  O117  1  0.3747  0.4153  0.6940  1
  O  O118  1  0.3790  0.0750  0.7497  1
  O  O119  1  0.3809  0.5993  0.8104  1
  O  O120  1  0.3839  0.7464  0.0761  1
  O  O121  1  0.3844  0.9199  0.4747  1
  O  O122  1  0.3882  0.2668  0.7366  1
  O  O123  1  0.3903  0.2659  0.1380  1
  O  O124  1  0.3906  0.9147  0.7596  1
  O  O125  1  0.3927  0.4117  0.4001  1
  O  O126  1  0.3952  0.5874  0.4014  1
  O  O127  1  0.3977  0.2540  0.4211  1
  O  O128  1  0.4042  0.9272  0.0825  1
  O  O129  1  0.4070  0.0579  0.1408  1
  O  O130  1  0.4195  0.3886  0.8010  1
  O  O131  1  0.4213  0.2671  0.0288  1
  O  O132  1  0.4335  0.7099  0.4660  1
  O  O133  1  0.4425  0.9298  0.3578  1
  O  O134  1  0.4445  0.4020  0.0855  1
  O  O135  1  0.4457  0.6101  0.6927  1
  O  O136  1  0.4484  0.0798  0.4261  1
  O  O137  1  0.4526  0.7519  0.7615  1
  O  O138  1  0.5486  0.6217  0.1928  1
  O  O139  1  0.5490  0.7523  0.2669  1
  O  O140  1  0.5551  0.9252  0.8602  1
  O  O141  1  0.5591  0.3973  0.5886  1
  O  O142  1  0.5597  0.0731  0.9204  1
  O  O143  1  0.5699  0.2696  0.5247  1
  O  O144  1  0.5790  0.7203  0.9739  1
  O  O145  1  0.5792  0.9372  0.5756  1
  O  O146  1  0.5823  0.2683  0.2540  1
  O  O147  1  0.5876  0.0654  0.6347  1
  O  O148  1  0.5879  0.4024  0.3081  1
  O  O149  1  0.5914  0.7476  0.5796  1
  O  O150  1  0.5960  0.5872  0.3083  1
  O  O151  1  0.5981  0.2483  0.9205  1
  O  O152  1  0.6036  0.4068  0.9087  1
  O  O153  1  0.6105  0.2542  0.6331  1
  O  O154  1  0.6107  0.0714  0.2435  1
  O  O155  1  0.6146  0.5934  0.9136  1
  O  O156  1  0.6153  0.5685  0.5905  1
  O  O157  1  0.6163  0.0817  0.5268  1
  O  O158  1  0.6219  0.9121  0.2536  1
  O  O159  1  0.6241  0.7407  0.8673  1
  O  O160  1  0.6386  0.4059  0.2011  1
  O  O161  1  0.6398  0.9239  0.9753  1
  O  O162  1  0.6653  0.4944  0.4058  1
  O  O163  1  0.6762  0.1927  0.4250  1
  O  O164  1  0.6775  0.8564  0.7622  1
  O  O165  1  0.6795  0.1496  0.0249  1
  O  O166  1  0.6820  0.5194  0.0811  1
  O  O167  1  0.6854  0.1637  0.7517  1
  O  O168  1  0.6869  0.4756  0.6953  1
  O  O169  1  0.6920  0.8258  0.0807  1
  O  O170  1  0.6963  0.5026  0.8042  1
  O  O171  1  0.6993  0.8101  0.3641  1
  O  O172  1  0.7053  0.1873  0.1452  1
  O  O173  1  0.7102  0.8446  0.4714  1
  O  O174  1  0.7852  0.3425  0.9723  1
  O  O175  1  0.8019  0.3108  0.8650  1
  O  O176  1  0.8027  0.6857  0.6454  1
  O  O177  1  0.8059  0.3201  0.5784  1
  O  O178  1  0.8061  0.0110  0.3025  1
  O  O179  1  0.8112  0.9803  0.1946  1
  O  O180  1  0.8151  0.6507  0.5257  1
  O  O181  1  0.8152  0.6647  0.2514  1
  O  O182  1  0.8182  0.0193  0.5817  1
  O  O183  1  0.8282  0.3445  0.2634  1
  O  O184  1  0.8291  0.6944  0.9279  1
  O  O185  1  0.8323  0.9924  0.9041  1
  O  O186  1  0.8611  0.4222  0.4738  1
  O  O187  1  0.8686  0.9083  0.6995  1
  O  O188  1  0.8770  0.2450  0.3640  1
  O  O189  1  0.8814  0.4096  0.7535  1
  O  O190  1  0.8849  0.5694  0.7450  1
  O  O191  1  0.8854  0.5822  0.0272  1
  O  O192  1  0.8893  0.0711  0.0924  1
  O  O193  1  0.8895  0.7604  0.1365  1
  O  O194  1  0.8945  0.9077  0.4097  1
  O  O195  1  0.8947  0.0973  0.4085  1
  O  O196  1  0.8993  0.7488  0.4234  1
  O  O197  1  0.9059  0.0868  0.8085  1
  O  O198  1  0.9095  0.2476  0.0781  1
  O  O199  1  0.9109  0.7705  0.7540  1
  O  O200  1  0.9141  0.5631  0.1353  1
  O  O201  1  0.9194  0.4362  0.0754  1
  O  O202  1  0.9246  0.7735  0.0289  1
  O  O203  1  0.9247  0.9038  0.8070  1
  O  O204  1  0.9285  0.2214  0.4708  1
  O  O205  1  0.9397  0.5783  0.4253  1
  O  O206  1  0.9408  0.9016  0.0906  1
  O  O207  1  0.9416  0.4361  0.3594  1
  O  O208  1  0.9484  0.1228  0.6925  1
  O  O209  1  0.9508  0.2511  0.7667  1
]