data_[Na15Y9Zr3Si9S9O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  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 [9.3465]
_cell_length_b [9.3511]
_cell_length_c [23.6774]
_cell_angle_alpha [90.4117]
_cell_angle_beta [90.0382]
_cell_angle_gamma [119.9714]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na5Y3ZrSi3(SO8)3]
_chemical_formula_sum '[Na15 Y9 Zr3 Si9 S9 O72]'
_cell_volume [1792.6048]
_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  0.0192  0.3118  0.5743  1
  Na  Na1  1  0.0272  0.0321  0.4985  1
  Na  Na2  1  0.0298  0.0220  0.0019  1
  Na  Na3  1  0.2904  0.3119  0.0775  1
  Na  Na4  1  0.3260  0.6851  0.1688  1
  Na  Na5  1  0.3537  0.6825  0.6650  1
  Na  Na6  1  0.3557  0.9855  0.2411  1
  Na  Na7  1  0.3808  0.3807  0.7528  1
  Na  Na8  1  0.6403  0.9882  0.7422  1
  Na  Na9  1  0.6566  0.6981  0.5908  1
  Na  Na10  1  0.6641  0.3697  0.8397  1
  Na  Na11  1  0.6752  0.9891  0.0886  1
  Na  Na12  1  0.7011  0.3647  0.3314  1
  Na  Na13  1  0.7176  0.0508  0.4153  1
  Na  Na14  1  0.9916  0.3634  0.2552  1
  Y  Y15  1  0.3253  0.6616  0.3148  1
  Y  Y16  1  0.3387  0.6601  0.8195  1
  Y  Y17  1  0.6577  0.3251  0.9818  1
  Y  Y18  1  0.6591  0.3373  0.6801  1
  Y  Y19  1  0.6632  0.3267  0.4834  1
  Y  Y20  1  0.9945  0.9985  0.3484  1
  Y  Y21  1  0.9957  0.9968  0.6485  1
  Y  Y22  1  0.9959  0.9863  0.1501  1
  Y  Y23  1  0.9988  0.9960  0.8566  1
  Zr  Zr24  1  0.3162  0.6546  0.0200  1
  Zr  Zr25  1  0.3302  0.6570  0.5175  1
  Zr  Zr26  1  0.6829  0.3285  0.1831  1
  Si  Si27  1  0.0320  0.3638  0.4161  1
  Si  Si28  1  0.3341  0.3676  0.9169  1
  Si  Si29  1  0.3643  0.3344  0.5826  1
  Si  Si30  1  0.3725  0.0361  0.0838  1
  Si  Si31  1  0.6619  0.0297  0.5837  1
  Si  Si32  1  0.6975  0.9997  0.2484  1
  Si  Si33  1  0.7009  0.7000  0.7493  1
  Si  Si34  1  0.9643  0.3317  0.0819  1
  Si  Si35  1  0.9951  0.6977  0.2506  1
  S  S36  1  0.0414  0.6665  0.9177  1
  S  S37  1  0.2971  0.0003  0.7504  1
  S  S38  1  0.3014  0.2949  0.2482  1
  S  S39  1  0.3312  0.9561  0.4181  1
  S  S40  1  0.6257  0.6674  0.4183  1
  S  S41  1  0.6262  0.9589  0.9183  1
  S  S42  1  0.6597  0.6237  0.0826  1
  S  S43  1  0.9681  0.6288  0.5820  1
  S  S44  1  0.9987  0.2954  0.7503  1
  O  O45  1  0.0113  0.1776  0.4189  1
  O  O46  1  0.0262  0.2217  0.6981  1
  O  O47  1  0.0275  0.8176  0.9165  1
  O  O48  1  0.0416  0.8221  0.1977  1
  O  O49  1  0.1227  0.6539  0.8661  1
  O  O50  1  0.1231  0.4643  0.3593  1
  O  O51  1  0.1343  0.6447  0.5753  1
  O  O52  1  0.1459  0.6835  0.9683  1
  O  O53  1  0.1463  0.4631  0.7555  1
  O  O54  1  0.1482  0.4734  0.4726  1
  O  O55  1  0.1533  0.6633  0.2538  1
  O  O56  1  0.1540  0.4986  0.0767  1
  O  O57  1  0.1642  0.1869  0.9172  1
  O  O58  1  0.1757  0.1804  0.5877  1
  O  O59  1  0.1839  0.9742  0.4160  1
  O  O60  1  0.1915  0.0198  0.0890  1
  O  O61  1  0.1981  0.2216  0.1970  1
  O  O62  1  0.2006  0.9817  0.6989  1
  O  O63  1  0.2172  0.0247  0.8005  1
  O  O64  1  0.2226  0.1889  0.2981  1
  O  O65  1  0.3175  0.4597  0.2557  1
  O  O66  1  0.3200  0.8525  0.4675  1
  O  O67  1  0.3206  0.8550  0.7555  1
  O  O68  1  0.3225  0.4804  0.9716  1
  O  O69  1  0.3442  0.4652  0.8578  1
  O  O70  1  0.3450  0.5048  0.5748  1
  O  O71  1  0.3532  0.8818  0.3657  1
  O  O72  1  0.3742  0.8588  0.0746  1
  O  O73  1  0.4598  0.1595  0.0314  1
  O  O74  1  0.4636  0.3210  0.5294  1
  O  O75  1  0.4656  0.1518  0.7464  1
  O  O76  1  0.4661  0.3094  0.2417  1
  O  O77  1  0.4760  0.3775  0.6407  1
  O  O78  1  0.4847  0.1202  0.4231  1
  O  O79  1  0.4905  0.1263  0.1412  1
  O  O80  1  0.4983  0.8430  0.5732  1
  O  O81  1  0.5030  0.3578  0.9191  1
  O  O82  1  0.5046  0.6363  0.0775  1
  O  O83  1  0.5079  0.8472  0.2546  1
  O  O84  1  0.5140  0.6873  0.7520  1
  O  O85  1  0.5274  0.6505  0.3680  1
  O  O86  1  0.5311  0.8825  0.8652  1
  O  O87  1  0.5365  0.8580  0.9679  1
  O  O88  1  0.5397  0.6850  0.4700  1
  O  O89  1  0.6365  0.5198  0.1328  1
  O  O90  1  0.6412  0.1105  0.6429  1
  O  O91  1  0.6477  0.1264  0.9209  1
  O  O92  1  0.6480  0.5234  0.4235  1
  O  O93  1  0.6693  0.5094  0.7484  1
  O  O94  1  0.6821  0.1730  0.2434  1
  O  O95  1  0.6841  0.5499  0.0312  1
  O  O96  1  0.7017  0.1533  0.5302  1
  O  O97  1  0.7796  0.8026  0.6903  1
  O  O98  1  0.7837  0.9827  0.1913  1
  O  O99  1  0.7876  0.8242  0.4167  1
  O  O100  1  0.7901  0.9698  0.9154  1
  O  O101  1  0.7994  0.7939  0.0883  1
  O  O102  1  0.8146  0.0384  0.3051  1
  O  O103  1  0.8165  0.8064  0.8025  1
  O  O104  1  0.8241  0.0024  0.5869  1
  O  O105  1  0.8278  0.5124  0.2417  1
  O  O106  1  0.8451  0.3409  0.4193  1
  O  O107  1  0.8453  0.3044  0.7451  1
  O  O108  1  0.8461  0.3073  0.0294  1
  O  O109  1  0.8634  0.5527  0.5320  1
  O  O110  1  0.8773  0.5177  0.9218  1
  O  O111  1  0.8790  0.3582  0.1403  1
  O  O112  1  0.8945  0.5242  0.6326  1
  O  O113  1  0.9759  0.7853  0.3076  1
  O  O114  1  0.9811  0.1914  0.7993  1
  O  O115  1  0.9857  0.7938  0.5894  1
  O  O116  1  0.9893  0.1714  0.0876  1
]