data_[Na30Ca18Zr6Si9S27O144]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.3749]
_cell_length_b [16.1837]
_cell_length_c [23.2668]
_cell_angle_alpha [89.9912]
_cell_angle_beta [89.9878]
_cell_angle_gamma [89.9385]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na10Ca6Zr2Si3(S3O16)3]
_chemical_formula_sum '[Na30 Ca18 Zr6 Si9 S27 O144]'
_cell_volume [3530.0601]
_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  0.0010  0.6714  0.3271  1
  Na  Na1  1  0.0073  0.6738  0.8364  1
  Na  Na2  1  0.0243  0.9882  0.0031  1
  Na  Na3  1  0.0271  0.3178  0.1624  1
  Na  Na4  1  0.1453  0.5094  0.2567  1
  Na  Na5  1  0.1646  0.8093  0.2495  1
  Na  Na6  1  0.1715  0.5146  0.9176  1
  Na  Na7  1  0.1761  0.1491  0.9216  1
  Na  Na8  1  0.1864  0.8285  0.5934  1
  Na  Na9  1  0.3064  0.6915  0.7311  1
  Na  Na10  1  0.3191  0.6484  0.4243  1
  Na  Na11  1  0.3272  0.0166  0.4166  1
  Na  Na12  1  0.3355  0.3099  0.7498  1
  Na  Na13  1  0.3357  0.0025  0.7551  1
  Na  Na14  1  0.4912  0.4948  0.5048  1
  Na  Na15  1  0.4936  0.8238  0.6624  1
  Na  Na16  1  0.4961  0.1700  0.8272  1
  Na  Na17  1  0.5068  0.1685  0.3368  1
  Na  Na18  1  0.5102  0.8385  0.1629  1
  Na  Na19  1  0.5346  0.4975  0.9985  1
  Na  Na20  1  0.6495  0.3417  0.9146  1
  Na  Na21  1  0.6817  0.6846  0.2446  1
  Na  Na22  1  0.6933  0.6457  0.9159  1
  Na  Na23  1  0.8074  0.1467  0.4142  1
  Na  Na24  1  0.8204  0.1844  0.7427  1
  Na  Na25  1  0.8445  0.8193  0.7568  1
  Na  Na26  1  0.8531  0.8441  0.4117  1
  Na  Na27  1  0.8552  0.1671  0.0832  1
  Na  Na28  1  0.9577  0.0068  0.5000  1
  Na  Na29  1  0.9874  0.3362  0.6618  1
  Ca  Ca30  1  0.0007  0.3298  0.3143  1
  Ca  Ca31  1  0.0010  0.6625  0.6791  1
  Ca  Ca32  1  0.0011  0.6669  0.9860  1
  Ca  Ca33  1  0.0016  0.6698  0.1797  1
  Ca  Ca34  1  0.0019  0.3373  0.0205  1
  Ca  Ca35  1  0.0033  0.3360  0.5164  1
  Ca  Ca36  1  0.0038  0.9961  0.8519  1
  Ca  Ca37  1  0.0088  0.6582  0.4902  1
  Ca  Ca38  1  0.4760  0.1643  0.9937  1
  Ca  Ca39  1  0.4852  0.1662  0.1810  1
  Ca  Ca40  1  0.4873  0.8355  0.8175  1
  Ca  Ca41  1  0.4959  0.8366  0.0163  1
  Ca  Ca42  1  0.4966  0.1684  0.6793  1
  Ca  Ca43  1  0.5007  0.1678  0.4858  1
  Ca  Ca44  1  0.5008  0.4960  0.3515  1
  Ca  Ca45  1  0.5112  0.8341  0.5202  1
  Ca  Ca46  1  0.5120  0.4964  0.8460  1
  Ca  Ca47  1  0.9903  0.9991  0.3450  1
  Zr  Zr48  1  0.0107  0.0041  0.6544  1
  Zr  Zr49  1  0.4983  0.5053  0.1518  1
  Zr  Zr50  1  0.5091  0.4972  0.6481  1
  Zr  Zr51  1  0.5128  0.8399  0.3106  1
  Zr  Zr52  1  0.9869  0.3398  0.8113  1
  Zr  Zr53  1  0.9981  0.9984  0.1509  1
  Si  Si54  1  0.1474  0.8477  0.7483  1
  Si  Si55  1  0.1517  0.1518  0.7578  1
  Si  Si56  1  0.1838  0.1640  0.0804  1
  Si  Si57  1  0.3137  0.6651  0.5841  1
  Si  Si58  1  0.3502  0.6505  0.2566  1
  Si  Si59  1  0.6476  0.3471  0.7538  1
  Si  Si60  1  0.6484  0.9856  0.4165  1
  Si  Si61  1  0.8524  0.4854  0.9175  1
  Si  Si62  1  0.8531  0.8478  0.2543  1
  S  S63  1  0.1497  0.1819  0.4169  1
  S  S64  1  0.1504  0.4872  0.4128  1
  S  S65  1  0.1543  0.8227  0.0879  1
  S  S66  1  0.1646  0.5146  0.0864  1
  S  S67  1  0.2064  0.4976  0.7523  1
  S  S68  1  0.2064  0.8332  0.4145  1
  S  S69  1  0.2947  0.3335  0.9124  1
  S  S70  1  0.2977  0.9981  0.2536  1
  S  S71  1  0.3345  0.0148  0.5842  1
  S  S72  1  0.3459  0.3231  0.5875  1
  S  S73  1  0.3495  0.6805  0.9155  1
  S  S74  1  0.3497  0.3540  0.2481  1
  S  S75  1  0.3499  0.9900  0.9152  1
  S  S76  1  0.6448  0.3228  0.0835  1
  S  S77  1  0.6456  0.6517  0.7498  1
  S  S78  1  0.6513  0.6882  0.4120  1
  S  S79  1  0.6566  0.0141  0.0872  1
  S  S80  1  0.6862  0.6636  0.0845  1
  S  S81  1  0.7033  0.3313  0.4176  1
  S  S82  1  0.7065  0.9976  0.7476  1
  S  S83  1  0.7978  0.4970  0.2471  1
  S  S84  1  0.7978  0.8311  0.9155  1
  S  S85  1  0.8143  0.1629  0.5845  1
  S  S86  1  0.8423  0.5096  0.5856  1
  S  S87  1  0.8472  0.1892  0.9146  1
  S  S88  1  0.8489  0.1529  0.2477  1
  S  S89  1  0.8569  0.8259  0.5857  1
  O  O90  1  0.0653  0.2383  0.0827  1
  O  O91  1  0.0690  0.8944  0.8002  1
  O  O92  1  0.0719  0.0972  0.7035  1
  O  O93  1  0.0725  0.2442  0.7562  1
  O  O94  1  0.0781  0.7547  0.7454  1
  O  O95  1  0.0789  0.0784  0.0942  1
  O  O96  1  0.0836  0.9071  0.0911  1
  O  O97  1  0.0844  0.0970  0.4152  1
  O  O98  1  0.0872  0.5727  0.4131  1
  O  O99  1  0.0917  0.2247  0.4678  1
  O  O100  1  0.0928  0.7798  0.0381  1
  O  O101  1  0.0984  0.4382  0.4615  1
  O  O102  1  0.1068  0.9073  0.6889  1
  O  O103  1  0.1073  0.4305  0.0839  1
  O  O104  1  0.1077  0.5666  0.7436  1
  O  O105  1  0.1088  0.7600  0.4145  1
  O  O106  1  0.1100  0.5570  0.1380  1
  O  O107  1  0.1112  0.4474  0.3572  1
  O  O108  1  0.1145  0.2279  0.3639  1
  O  O109  1  0.1214  0.9109  0.4122  1
  O  O110  1  0.1265  0.1016  0.8164  1
  O  O111  1  0.1267  0.7787  0.1424  1
  O  O112  1  0.1267  0.4163  0.7535  1
  O  O113  1  0.1381  0.5622  0.0331  1
  O  O114  1  0.1722  0.0112  0.5873  1
  O  O115  1  0.1789  0.6594  0.2460  1
  O  O116  1  0.1901  0.3571  0.2450  1
  O  O117  1  0.1908  0.3369  0.5820  1
  O  O118  1  0.1913  0.9978  0.9211  1
  O  O119  1  0.1918  0.6705  0.9204  1
  O  O120  1  0.1924  0.9919  0.2051  1
  O  O121  1  0.2009  0.3358  0.9625  1
  O  O122  1  0.2061  0.3275  0.8583  1
  O  O123  1  0.2063  0.6771  0.6389  1
  O  O124  1  0.2235  0.0072  0.3090  1
  O  O125  1  0.2270  0.6506  0.5235  1
  O  O126  1  0.2535  0.1495  0.0165  1
  O  O127  1  0.2819  0.5095  0.8073  1
  O  O128  1  0.2951  0.8352  0.4665  1
  O  O129  1  0.3002  0.8259  0.3618  1
  O  O130  1  0.3018  0.1718  0.1300  1
  O  O131  1  0.3076  0.1709  0.4205  1
  O  O132  1  0.3094  0.4964  0.4183  1
  O  O133  1  0.3096  0.8360  0.0822  1
  O  O134  1  0.3104  0.4897  0.7039  1
  O  O135  1  0.3225  0.1597  0.7461  1
  O  O136  1  0.3229  0.8468  0.7468  1
  O  O137  1  0.3271  0.5079  0.0920  1
  O  O138  1  0.3692  0.0615  0.5315  1
  O  O139  1  0.3727  0.9141  0.2529  1
  O  O140  1  0.3747  0.2794  0.6420  1
  O  O141  1  0.3765  0.5976  0.3141  1
  O  O142  1  0.3805  0.4112  0.9120  1
  O  O143  1  0.3820  0.7223  0.8603  1
  O  O144  1  0.3851  0.9281  0.5818  1
  O  O145  1  0.3883  0.9511  0.8591  1
  O  O146  1  0.3899  0.0546  0.6364  1
  O  O147  1  0.3919  0.2603  0.9136  1
  O  O148  1  0.3994  0.3924  0.3016  1
  O  O149  1  0.4006  0.0640  0.2456  1
  O  O150  1  0.4013  0.4075  0.1982  1
  O  O151  1  0.4033  0.9393  0.9631  1
  O  O152  1  0.4038  0.2698  0.2437  1
  O  O153  1  0.4074  0.2802  0.5377  1
  O  O154  1  0.4092  0.7274  0.9642  1
  O  O155  1  0.4093  0.7494  0.5834  1
  O  O156  1  0.4133  0.0747  0.9160  1
  O  O157  1  0.4147  0.5957  0.9162  1
  O  O158  1  0.4165  0.4078  0.5904  1
  O  O159  1  0.4178  0.5813  0.5967  1
  O  O160  1  0.4292  0.7425  0.2556  1
  O  O161  1  0.4309  0.5957  0.2017  1
  O  O162  1  0.5656  0.0753  0.4150  1
  O  O163  1  0.5697  0.7330  0.7463  1
  O  O164  1  0.5789  0.4075  0.0927  1
  O  O165  1  0.5807  0.3771  0.8142  1
  O  O166  1  0.5817  0.9312  0.3590  1
  O  O167  1  0.5864  0.5987  0.7024  1
  O  O168  1  0.5876  0.7276  0.4625  1
  O  O169  1  0.5889  0.7353  0.0820  1
  O  O170  1  0.5894  0.2912  0.0274  1
  O  O171  1  0.5948  0.6033  0.4079  1
  O  O172  1  0.5964  0.2521  0.7434  1
  O  O173  1  0.5970  0.5847  0.0882  1
  O  O174  1  0.5971  0.9298  0.0817  1
  O  O175  1  0.5985  0.4113  0.7013  1
  O  O176  1  0.6029  0.0547  0.1388  1
  O  O177  1  0.6031  0.0659  0.7394  1
  O  O178  1  0.6058  0.4035  0.4165  1
  O  O179  1  0.6074  0.2669  0.1308  1
  O  O180  1  0.6087  0.7373  0.3584  1
  O  O181  1  0.6178  0.6120  0.8057  1
  O  O182  1  0.6179  0.2525  0.4184  1
  O  O183  1  0.6179  0.9273  0.4705  1
  O  O184  1  0.6291  0.9174  0.7506  1
  O  O185  1  0.6343  0.0656  0.0352  1
  O  O186  1  0.6733  0.8424  0.2533  1
  O  O187  1  0.6783  0.4977  0.9135  1
  O  O188  1  0.6808  0.4996  0.5897  1
  O  O189  1  0.6891  0.1897  0.9134  1
  O  O190  1  0.6934  0.1617  0.2428  1
  O  O191  1  0.6968  0.8314  0.9641  1
  O  O192  1  0.7004  0.4906  0.1955  1
  O  O193  1  0.7021  0.8384  0.5842  1
  O  O194  1  0.7098  0.5041  0.2990  1
  O  O195  1  0.7181  0.8276  0.8597  1
  O  O196  1  0.7249  0.1675  0.6368  1
  O  O197  1  0.7267  0.1565  0.5315  1
  O  O198  1  0.7730  0.6555  0.0317  1
  O  O199  1  0.7742  0.6686  0.1369  1
  O  O200  1  0.7907  0.0144  0.7994  1
  O  O201  1  0.7923  0.3346  0.4697  1
  O  O202  1  0.7942  0.3273  0.3654  1
  O  O203  1  0.8001  0.6660  0.7431  1
  O  O204  1  0.8017  0.3307  0.0822  1
  O  O205  1  0.8049  0.9916  0.6962  1
  O  O206  1  0.8099  0.6895  0.4136  1
  O  O207  1  0.8187  0.0063  0.0924  1
  O  O208  1  0.8221  0.9988  0.4121  1
  O  O209  1  0.8274  0.3424  0.7537  1
  O  O210  1  0.8686  0.5574  0.5329  1
  O  O211  1  0.8838  0.7525  0.9182  1
  O  O212  1  0.8843  0.1122  0.3028  1
  O  O213  1  0.8846  0.4274  0.9715  1
  O  O214  1  0.8858  0.5734  0.2419  1
  O  O215  1  0.8910  0.5517  0.6377  1
  O  O216  1  0.8912  0.9044  0.9188  1
  O  O217  1  0.8950  0.7789  0.6380  1
  O  O218  1  0.8951  0.4250  0.2477  1
  O  O219  1  0.8956  0.2410  0.8628  1
  O  O220  1  0.9032  0.2275  0.9673  1
  O  O221  1  0.9036  0.0849  0.5875  1
  O  O222  1  0.9040  0.9106  0.2016  1
  O  O223  1  0.9043  0.4257  0.5830  1
  O  O224  1  0.9053  0.1003  0.1984  1
  O  O225  1  0.9055  0.7526  0.2450  1
  O  O226  1  0.9075  0.1053  0.9099  1
  O  O227  1  0.9097  0.2357  0.5825  1
  O  O228  1  0.9133  0.7837  0.5332  1
  O  O229  1  0.9188  0.8783  0.3148  1
  O  O230  1  0.9195  0.4325  0.8595  1
  O  O231  1  0.9216  0.2342  0.2436  1
  O  O232  1  0.9318  0.9091  0.5875  1
  O  O233  1  0.9337  0.5756  0.9166  1
]