data_[Na18Mg6Zn6Si3S15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  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 [8.9863]
_cell_length_b [9.0001]
_cell_length_c [21.9869]
_cell_angle_alpha [89.5203]
_cell_angle_beta [89.2058]
_cell_angle_gamma [60.4631]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6Mg2Zn2SiS5O24]
_chemical_formula_sum '[Na18 Mg6 Zn6 Si3 S15 O72]'
_cell_volume [1546.9784]
_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  0.0001  0.9996  0.9996  1
  Na  Na1  1  0.0165  0.6411  0.7470  1
  Na  Na2  1  0.0360  0.2983  0.5768  1
  Na  Na3  1  0.3229  0.9799  0.4217  1
  Na  Na4  1  0.3302  0.7013  0.9094  1
  Na  Na5  1  0.3306  0.3330  0.1665  1
  Na  Na6  1  0.3416  0.3539  0.6642  1
  Na  Na7  1  0.3602  0.9862  0.7543  1
  Na  Na8  1  0.3719  0.6267  0.2496  1
  Na  Na9  1  0.6257  0.3743  0.7495  1
  Na  Na10  1  0.6356  0.0137  0.2449  1
  Na  Na11  1  0.6646  0.6692  0.8337  1
  Na  Na12  1  0.6680  0.2999  0.0896  1
  Na  Na13  1  0.6789  0.6455  0.3328  1
  Na  Na14  1  0.7112  0.3301  0.4120  1
  Na  Na15  1  0.9720  0.6864  0.4141  1
  Na  Na16  1  0.9895  0.3663  0.2581  1
  Na  Na17  1  0.9995  0.9982  0.5022  1
  Mg  Mg18  1  0.0049  0.9969  0.8497  1
  Mg  Mg19  1  0.3299  0.3307  0.0157  1
  Mg  Mg20  1  0.3318  0.3364  0.8189  1
  Mg  Mg21  1  0.6566  0.6686  0.6818  1
  Mg  Mg22  1  0.6707  0.6693  0.9835  1
  Mg  Mg23  1  0.9909  0.0069  0.1493  1
  Zn  Zn24  1  0.0126  0.9765  0.6540  1
  Zn  Zn25  1  0.3319  0.3289  0.5136  1
  Zn  Zn26  1  0.3336  0.3358  0.3195  1
  Zn  Zn27  1  0.6706  0.6559  0.1782  1
  Zn  Zn28  1  0.6778  0.6555  0.4864  1
  Zn  Zn29  1  0.9922  0.0311  0.3459  1
  Si  Si30  1  0.0371  0.3332  0.4179  1
  Si  Si31  1  0.3015  0.6978  0.7533  1
  Si  Si32  1  0.6930  0.3045  0.2483  1
  S  S33  1  0.0000  0.2955  0.7486  1
  S  S34  1  0.0342  0.6299  0.9168  1
  S  S35  1  0.2964  0.9957  0.2482  1
  S  S36  1  0.3326  0.0373  0.9169  1
  S  S37  1  0.3330  0.6329  0.4173  1
  S  S38  1  0.3648  0.6676  0.0813  1
  S  S39  1  0.3710  0.9654  0.5831  1
  S  S40  1  0.6321  0.0329  0.4170  1
  S  S41  1  0.6333  0.3316  0.9179  1
  S  S42  1  0.6665  0.9619  0.0835  1
  S  S43  1  0.6681  0.3618  0.5839  1
  S  S44  1  0.7053  0.0017  0.7506  1
  S  S45  1  0.9621  0.6709  0.5840  1
  S  S46  1  0.9674  0.3686  0.0828  1
  S  S47  1  0.9982  0.7112  0.2500  1
  O  O48  1  0.0192  0.1590  0.4150  1
  O  O49  1  0.0197  0.8026  0.9139  1
  O  O50  1  0.0211  0.8012  0.1974  1
  O  O51  1  0.0249  0.1987  0.6913  1
  O  O52  1  0.1107  0.5338  0.8593  1
  O  O53  1  0.1249  0.3655  0.3565  1
  O  O54  1  0.1331  0.5125  0.5835  1
  O  O55  1  0.1404  0.3479  0.0744  1
  O  O56  1  0.1485  0.5358  0.2498  1
  O  O57  1  0.1495  0.5389  0.9683  1
  O  O58  1  0.1512  0.3031  0.4787  1
  O  O59  1  0.1596  0.3057  0.7574  1
  O  O60  1  0.1694  0.7810  0.6966  1
  O  O61  1  0.1730  0.8000  0.4127  1
  O  O62  1  0.1758  0.0199  0.9163  1
  O  O63  1  0.1858  0.0102  0.1969  1
  O  O64  1  0.1929  0.8196  0.0868  1
  O  O65  1  0.1934  0.9906  0.5850  1
  O  O66  1  0.2188  0.8188  0.8134  1
  O  O67  1  0.2291  0.9628  0.3067  1
  O  O68  1  0.3045  0.1567  0.2506  1
  O  O69  1  0.3135  0.5431  0.4708  1
  O  O70  1  0.3222  0.1414  0.9698  1
  O  O71  1  0.3272  0.5028  0.7582  1
  O  O72  1  0.3498  0.1166  0.8593  1
  O  O73  1  0.3530  0.5072  0.0764  1
  O  O74  1  0.3571  0.1378  0.5826  1
  O  O75  1  0.3677  0.5300  0.3604  1
  O  O76  1  0.4531  0.6868  0.0268  1
  O  O77  1  0.4564  0.8669  0.5268  1
  O  O78  1  0.4678  0.8751  0.6383  1
  O  O79  1  0.4691  0.6412  0.1371  1
  O  O80  1  0.4726  0.8491  0.2419  1
  O  O81  1  0.4815  0.6629  0.4230  1
  O  O82  1  0.4851  0.8607  0.9205  1
  O  O83  1  0.4936  0.6795  0.7452  1
  O  O84  1  0.4998  0.3228  0.2554  1
  O  O85  1  0.5131  0.3439  0.5799  1
  O  O86  1  0.5147  0.1390  0.0795  1
  O  O87  1  0.5259  0.3543  0.8637  1
  O  O88  1  0.5270  0.1453  0.7593  1
  O  O89  1  0.5362  0.1079  0.3596  1
  O  O90  1  0.5491  0.3121  0.9739  1
  O  O91  1  0.5510  0.1498  0.4690  1
  O  O92  1  0.6360  0.8660  0.4244  1
  O  O93  1  0.6435  0.4931  0.9219  1
  O  O94  1  0.6476  0.8849  0.1416  1
  O  O95  1  0.6509  0.4662  0.6386  1
  O  O96  1  0.6737  0.4975  0.2426  1
  O  O97  1  0.6787  0.8566  0.0311  1
  O  O98  1  0.6908  0.4441  0.5276  1
  O  O99  1  0.6973  0.8406  0.7433  1
  O  O100  1  0.7731  0.0460  0.6955  1
  O  O101  1  0.7808  0.1832  0.1892  1
  O  O102  1  0.8057  0.1809  0.9120  1
  O  O103  1  0.8070  0.2283  0.3099  1
  O  O104  1  0.8113  0.0000  0.4129  1
  O  O105  1  0.8136  0.9771  0.8040  1
  O  O106  1  0.8230  0.9809  0.0842  1
  O  O107  1  0.8274  0.1928  0.5880  1
  O  O108  1  0.8383  0.6997  0.2459  1
  O  O109  1  0.8434  0.5046  0.4214  1
  O  O110  1  0.8491  0.4618  0.0326  1
  O  O111  1  0.8528  0.4736  0.7439  1
  O  O112  1  0.8618  0.6478  0.9241  1
  O  O113  1  0.8683  0.6544  0.6378  1
  O  O114  1  0.8694  0.6816  0.5266  1
  O  O115  1  0.8979  0.4623  0.1415  1
  O  O116  1  0.9629  0.2134  0.8006  1
  O  O117  1  0.9774  0.8268  0.5861  1
  O  O118  1  0.9790  0.1969  0.0861  1
  O  O119  1  0.9849  0.8030  0.3079  1
]