data_[Na6Zr12Si15Sn12S21O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.9282]
_cell_length_b [15.4544]
_cell_length_c [23.3533]
_cell_angle_alpha [90.5916]
_cell_angle_beta [89.9988]
_cell_angle_gamma [90.1681]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Zr4Si5Sn4S7O48]
_chemical_formula_sum '[Na6 Zr12 Si15 Sn12 S21 O144]'
_cell_volume [3222.0841]
_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  0.0075  0.6629  0.6690  1
  Na  Na1  1  0.4910  0.1656  0.1704  1
  Na  Na2  1  0.5018  0.5068  0.0067  1
  Na  Na3  1  0.5047  0.1647  0.6621  1
  Na  Na4  1  0.9903  0.6580  0.1662  1
  Na  Na5  1  0.9943  0.0063  0.5004  1
  Zr  Zr6  1  0.0037  0.9995  0.3521  1
  Zr  Zr7  1  0.0103  0.6586  0.8113  1
  Zr  Zr8  1  0.0128  0.9996  0.6428  1
  Zr  Zr9  1  0.0129  0.3451  0.1937  1
  Zr  Zr10  1  0.4829  0.8391  0.6902  1
  Zr  Zr11  1  0.4908  0.1600  0.3104  1
  Zr  Zr12  1  0.4948  0.5005  0.8537  1
  Zr  Zr13  1  0.4989  0.5017  0.1478  1
  Zr  Zr14  1  0.5163  0.1585  0.0217  1
  Zr  Zr15  1  0.5185  0.1612  0.5222  1
  Zr  Zr16  1  0.9824  0.6592  0.0246  1
  Zr  Zr17  1  0.9839  0.6576  0.5187  1
  Si  Si18  1  0.1333  0.8570  0.7521  1
  Si  Si19  1  0.1493  0.4749  0.0812  1
  Si  Si20  1  0.2127  0.4943  0.7462  1
  Si  Si21  1  0.2880  0.9943  0.2461  1
  Si  Si22  1  0.3602  0.9756  0.5804  1
  Si  Si23  1  0.3660  0.3571  0.2525  1
  Si  Si24  1  0.6374  0.6901  0.0852  1
  Si  Si25  1  0.6498  0.0200  0.4152  1
  Si  Si26  1  0.6522  0.9765  0.0860  1
  Si  Si27  1  0.6984  0.6648  0.4150  1
  Si  Si28  1  0.7888  0.5040  0.2503  1
  Si  Si29  1  0.7995  0.1658  0.9155  1
  Si  Si30  1  0.8485  0.4779  0.5853  1
  Si  Si31  1  0.8519  0.5189  0.9158  1
  Si  Si32  1  0.8611  0.1919  0.5854  1
  Sn  Sn33  1  0.0029  0.0016  0.1449  1
  Sn  Sn34  1  0.4972  0.5006  0.6447  1
  Sn  Sn35  1  0.5018  0.8374  0.4746  1
  Sn  Sn36  1  0.5030  0.8378  0.1862  1
  Sn  Sn37  1  0.5067  0.1672  0.8191  1
  Sn  Sn38  1  0.5108  0.4979  0.3515  1
  Sn  Sn39  1  0.5137  0.8328  0.9855  1
  Sn  Sn40  1  0.9856  0.3336  0.4831  1
  Sn  Sn41  1  0.9868  0.6619  0.3158  1
  Sn  Sn42  1  0.9953  0.3378  0.9775  1
  Sn  Sn43  1  0.9973  0.3400  0.6846  1
  Sn  Sn44  1  0.9996  0.9977  0.8553  1
  S  S45  1  0.1426  0.1885  0.0825  1
  S  S46  1  0.1442  0.8087  0.4164  1
  S  S47  1  0.1481  0.5172  0.4167  1
  S  S48  1  0.1486  0.1478  0.7519  1
  S  S49  1  0.2067  0.1717  0.4188  1
  S  S50  1  0.2110  0.8346  0.0827  1
  S  S51  1  0.2886  0.3341  0.5828  1
  S  S52  1  0.2934  0.6723  0.9187  1
  S  S53  1  0.3501  0.6492  0.2518  1
  S  S54  1  0.3533  0.3104  0.9176  1
  S  S55  1  0.3546  0.0178  0.9171  1
  S  S56  1  0.3568  0.6885  0.5825  1
  S  S57  1  0.6442  0.3521  0.7498  1
  S  S58  1  0.6450  0.6449  0.7488  1
  S  S59  1  0.6460  0.3126  0.4168  1
  S  S60  1  0.7092  0.0021  0.7506  1
  S  S61  1  0.7111  0.3328  0.0836  1
  S  S62  1  0.7882  0.8322  0.5838  1
  S  S63  1  0.8524  0.8124  0.9163  1
  S  S64  1  0.8560  0.1445  0.2486  1
  S  S65  1  0.8566  0.8530  0.2494  1
  O  O66  1  0.0619  0.7615  0.7592  1
  O  O67  1  0.0637  0.9040  0.6962  1
  O  O68  1  0.0685  0.4334  0.1367  1
  O  O69  1  0.0749  0.8961  0.4101  1
  O  O70  1  0.0758  0.5727  0.0752  1
  O  O71  1  0.0761  0.2258  0.0302  1
  O  O72  1  0.0765  0.1000  0.0882  1
  O  O73  1  0.0766  0.5561  0.3653  1
  O  O74  1  0.0768  0.7688  0.4676  1
  O  O75  1  0.0778  0.4307  0.4256  1
  O  O76  1  0.0824  0.1088  0.8034  1
  O  O77  1  0.0834  0.2331  0.7434  1
  O  O78  1  0.1078  0.5809  0.7533  1
  O  O79  1  0.1086  0.0934  0.4115  1
  O  O80  1  0.1113  0.2502  0.4252  1
  O  O81  1  0.1127  0.4069  0.7406  1
  O  O82  1  0.1147  0.7583  0.0742  1
  O  O83  1  0.1160  0.2400  0.1342  1
  O  O84  1  0.1165  0.9126  0.0900  1
  O  O85  1  0.1172  0.9189  0.8091  1
  O  O86  1  0.1183  0.7563  0.3632  1
  O  O87  1  0.1190  0.5739  0.4681  1
  O  O88  1  0.1219  0.4143  0.0241  1
  O  O89  1  0.1264  0.0925  0.7002  1
  O  O90  1  0.1779  0.9850  0.5874  1
  O  O91  1  0.1818  0.9857  0.3031  1
  O  O92  1  0.1822  0.6596  0.2594  1
  O  O93  1  0.1824  0.0157  0.1906  1
  O  O94  1  0.1873  0.3419  0.2434  1
  O  O95  1  0.1911  0.0118  0.9102  1
  O  O96  1  0.1916  0.6808  0.5769  1
  O  O97  1  0.1917  0.3186  0.9228  1
  O  O98  1  0.1965  0.3494  0.5309  1
  O  O99  1  0.1991  0.3174  0.6349  1
  O  O100  1  0.2000  0.6577  0.9691  1
  O  O101  1  0.2031  0.6830  0.8659  1
  O  O102  1  0.2970  0.1828  0.3665  1
  O  O103  1  0.3002  0.1577  0.4698  1
  O  O104  1  0.3014  0.8181  0.1343  1
  O  O105  1  0.3027  0.8507  0.0302  1
  O  O106  1  0.3065  0.8179  0.4223  1
  O  O107  1  0.3087  0.1790  0.0744  1
  O  O108  1  0.3100  0.5110  0.4103  1
  O  O109  1  0.3148  0.8462  0.7422  1
  O  O110  1  0.3183  0.5159  0.6904  1
  O  O111  1  0.3188  0.4855  0.8027  1
  O  O112  1  0.3200  0.1550  0.7586  1
  O  O113  1  0.3292  0.4860  0.0870  1
  O  O114  1  0.3684  0.5940  0.2002  1
  O  O115  1  0.3774  0.2584  0.8629  1
  O  O116  1  0.3794  0.4175  0.3105  1
  O  O117  1  0.3814  0.0749  0.9671  1
  O  O118  1  0.3822  0.9121  0.5256  1
  O  O119  1  0.3832  0.4125  0.5901  1
  O  O120  1  0.3855  0.2579  0.5752  1
  O  O121  1  0.3865  0.7415  0.6352  1
  O  O122  1  0.3876  0.9074  0.2408  1
  O  O123  1  0.3894  0.7508  0.9244  1
  O  O124  1  0.3912  0.5942  0.9105  1
  O  O125  1  0.3928  0.0810  0.2535  1
  O  O126  1  0.4156  0.6110  0.3037  1
  O  O127  1  0.4180  0.7350  0.2430  1
  O  O128  1  0.4214  0.9313  0.9248  1
  O  O129  1  0.4232  0.2692  0.9671  1
  O  O130  1  0.4241  0.7271  0.5313  1
  O  O131  1  0.4241  0.0561  0.8639  1
  O  O132  1  0.4244  0.6018  0.5896  1
  O  O133  1  0.4244  0.3970  0.9103  1
  O  O134  1  0.4265  0.0738  0.5766  1
  O  O135  1  0.4326  0.9327  0.6381  1
  O  O136  1  0.4340  0.4013  0.1955  1
  O  O137  1  0.4410  0.2615  0.2600  1
  O  O138  1  0.5633  0.7268  0.0254  1
  O  O139  1  0.5683  0.9389  0.1414  1
  O  O140  1  0.5693  0.2640  0.7555  1
  O  O141  1  0.5702  0.5934  0.0888  1
  O  O142  1  0.5715  0.9275  0.4231  1
  O  O143  1  0.5743  0.0731  0.0784  1
  O  O144  1  0.5761  0.7301  0.7408  1
  O  O145  1  0.5765  0.0695  0.3612  1
  O  O146  1  0.5767  0.3901  0.6978  1
  O  O147  1  0.5784  0.6039  0.7999  1
  O  O148  1  0.5786  0.3990  0.4124  1
  O  O149  1  0.5817  0.2723  0.4689  1
  O  O150  1  0.5937  0.5803  0.4074  1
  O  O151  1  0.5973  0.7484  0.4291  1
  O  O152  1  0.6058  0.0798  0.7566  1
  O  O153  1  0.6078  0.2560  0.0757  1
  O  O154  1  0.6107  0.7493  0.1425  1
  O  O155  1  0.6143  0.4055  0.8015  1
  O  O156  1  0.6160  0.4104  0.0879  1
  O  O157  1  0.6164  0.9236  0.7434  1
  O  O158  1  0.6188  0.2585  0.3658  1
  O  O159  1  0.6224  0.0808  0.4726  1
  O  O160  1  0.6239  0.5899  0.6968  1
  O  O161  1  0.6253  0.9249  0.0252  1
  O  O162  1  0.6680  0.4892  0.5944  1
  O  O163  1  0.6697  0.5098  0.9070  1
  O  O164  1  0.6779  0.1868  0.5803  1
  O  O165  1  0.6847  0.1491  0.9692  1
  O  O166  1  0.6855  0.8217  0.9219  1
  O  O167  1  0.6867  0.5219  0.1944  1
  O  O168  1  0.6917  0.1532  0.2560  1
  O  O169  1  0.6938  0.8433  0.2448  1
  O  O170  1  0.6962  0.1862  0.8582  1
  O  O171  1  0.6979  0.4873  0.3088  1
  O  O172  1  0.6980  0.8440  0.5318  1
  O  O173  1  0.6982  0.8184  0.6357  1
  O  O174  1  0.7978  0.9900  0.8030  1
  O  O175  1  0.7995  0.3433  0.0303  1
  O  O176  1  0.8004  0.0176  0.6996  1
  O  O177  1  0.8009  0.3164  0.1341  1
  O  O178  1  0.8067  0.3427  0.7447  1
  O  O179  1  0.8084  0.6551  0.7559  1
  O  O180  1  0.8091  0.6888  0.3613  1
  O  O181  1  0.8119  0.6495  0.4704  1
  O  O182  1  0.8139  0.3205  0.4224  1
  O  O183  1  0.8214  0.6877  0.0799  1
  O  O184  1  0.8321  0.9889  0.0943  1
  O  O185  1  0.8322  0.0101  0.4089  1
  O  O186  1  0.8745  0.0879  0.1968  1
  O  O187  1  0.8761  0.4233  0.5262  1
  O  O188  1  0.8776  0.5817  0.9717  1
  O  O189  1  0.8805  0.7593  0.8647  1
  O  O190  1  0.8824  0.9114  0.5896  1
  O  O191  1  0.8845  0.9077  0.3012  1
  O  O192  1  0.8891  0.4176  0.2426  1
  O  O193  1  0.8891  0.2484  0.6439  1
  O  O194  1  0.8912  0.7567  0.5770  1
  O  O195  1  0.8989  0.0788  0.9051  1
  O  O196  1  0.9042  0.5892  0.2537  1
  O  O197  1  0.9063  0.2469  0.9289  1
  O  O198  1  0.9181  0.9007  0.9098  1
  O  O199  1  0.9201  0.7750  0.9678  1
  O  O200  1  0.9204  0.1017  0.3001  1
  O  O201  1  0.9233  0.8921  0.1975  1
  O  O202  1  0.9244  0.5685  0.8608  1
  O  O203  1  0.9258  0.0939  0.5927  1
  O  O204  1  0.9259  0.2275  0.2411  1
  O  O205  1  0.9263  0.5746  0.5784  1
  O  O206  1  0.9273  0.4256  0.9229  1
  O  O207  1  0.9299  0.4412  0.6418  1
  O  O208  1  0.9324  0.7677  0.2560  1
  O  O209  1  0.9383  0.2280  0.5267  1
]