data_[Na18Y3Ta9Si18O72]
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
  Ta  1.5000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.1587]
_cell_length_b [9.1603]
_cell_length_c [22.4743]
_cell_angle_alpha [90.0336]
_cell_angle_beta [90.0115]
_cell_angle_gamma [119.9059]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6YTa3(SiO4)6]
_chemical_formula_sum '[Na18 Y3 Ta9 Si18 O72]'
_cell_volume [1634.4503]
_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  0.0120  0.0131  0.0025  1
  Na  Na1  1  0.0248  0.6877  0.9188  1
  Na  Na2  1  0.0279  0.3373  0.4132  1
  Na  Na3  1  0.3228  0.2888  0.5860  1
  Na  Na4  1  0.3331  0.6502  0.8387  1
  Na  Na5  1  0.3489  0.6821  0.3353  1
  Na  Na6  1  0.3721  0.0142  0.7560  1
  Na  Na7  1  0.3783  0.3695  0.2530  1
  Na  Na8  1  0.6327  0.0118  0.2526  1
  Na  Na9  1  0.6446  0.6296  0.7560  1
  Na  Na10  1  0.6599  0.9749  0.9186  1
  Na  Na11  1  0.6673  0.3334  0.6754  1
  Na  Na12  1  0.6679  0.3334  0.1651  1
  Na  Na13  1  0.7120  0.0359  0.5867  1
  Na  Na14  1  0.9654  0.6753  0.5866  1
  Na  Na15  1  0.9834  0.3557  0.7557  1
  Na  Na16  1  0.9898  0.6190  0.2521  1
  Na  Na17  1  0.9992  0.9902  0.4978  1
  Y  Y18  1  0.6638  0.3323  0.3157  1
  Y  Y19  1  0.6647  0.3350  0.8250  1
  Y  Y20  1  1.0000  0.0001  0.6467  1
  Ta  Ta21  1  0.0004  0.9967  0.3555  1
  Ta  Ta22  1  0.0026  0.0024  0.8540  1
  Ta  Ta23  1  0.3331  0.6661  0.1861  1
  Ta  Ta24  1  0.3335  0.6640  0.9852  1
  Ta  Ta25  1  0.3335  0.6671  0.6888  1
  Ta  Ta26  1  0.3367  0.6695  0.4779  1
  Ta  Ta27  1  0.6654  0.3337  0.5168  1
  Ta  Ta28  1  0.6655  0.3326  0.0214  1
  Ta  Ta29  1  0.9994  0.9997  0.1413  1
  Si  Si30  1  0.0032  0.7036  0.7489  1
  Si  Si31  1  0.0083  0.2892  0.2486  1
  Si  Si32  1  0.0373  0.6629  0.0841  1
  Si  Si33  1  0.0390  0.3839  0.5814  1
  Si  Si34  1  0.2810  0.9920  0.2472  1
  Si  Si35  1  0.2947  0.2988  0.7478  1
  Si  Si36  1  0.3376  0.3742  0.0853  1
  Si  Si37  1  0.3446  0.9605  0.5823  1
  Si  Si38  1  0.3657  0.0326  0.9184  1
  Si  Si39  1  0.3658  0.3312  0.4147  1
  Si  Si40  1  0.6156  0.6541  0.5826  1
  Si  Si41  1  0.6252  0.9636  0.0844  1
  Si  Si42  1  0.6645  0.6342  0.9172  1
  Si  Si43  1  0.6673  0.0330  0.4144  1
  Si  Si44  1  0.7003  0.9959  0.7492  1
  Si  Si45  1  0.7115  0.7204  0.2477  1
  Si  Si46  1  0.9647  0.6337  0.4157  1
  Si  Si47  1  0.9695  0.3346  0.9180  1
  O  O48  1  0.0164  0.1976  0.5800  1
  O  O49  1  0.0180  0.8309  0.0886  1
  O  O50  1  0.0222  0.8297  0.8062  1
  O  O51  1  0.0302  0.1993  0.3097  1
  O  O52  1  0.1359  0.6397  0.1429  1
  O  O53  1  0.1368  0.5006  0.6418  1
  O  O54  1  0.1529  0.6585  0.4274  1
  O  O55  1  0.1539  0.4856  0.5248  1
  O  O56  1  0.1561  0.4963  0.9309  1
  O  O57  1  0.1580  0.6859  0.0273  1
  O  O58  1  0.1631  0.1857  0.8031  1
  O  O59  1  0.1631  0.9724  0.3063  1
  O  O60  1  0.1688  0.1881  0.0886  1
  O  O61  1  0.1779  0.0151  0.9115  1
  O  O62  1  0.1796  0.0063  0.1900  1
  O  O63  1  0.1797  0.1595  0.4132  1
  O  O64  1  0.1802  0.9818  0.5801  1
  O  O65  1  0.1830  0.4776  0.2449  1
  O  O66  1  0.1868  0.7065  0.7466  1
  O  O67  1  0.2268  0.2008  0.6855  1
  O  O68  1  0.2912  0.4790  0.7468  1
  O  O69  1  0.2930  0.8164  0.2450  1
  O  O70  1  0.3178  0.4805  0.0305  1
  O  O71  1  0.3287  0.4879  0.4258  1
  O  O72  1  0.3306  0.8386  0.5279  1
  O  O73  1  0.3328  0.8406  0.9300  1
  O  O74  1  0.3610  0.4929  0.1450  1
  O  O75  1  0.3653  0.8672  0.6435  1
  O  O76  1  0.4652  0.3677  0.3531  1
  O  O77  1  0.4661  0.1567  0.2477  1
  O  O78  1  0.4712  0.0860  0.8571  1
  O  O79  1  0.4746  0.3112  0.4715  1
  O  O80  1  0.4769  0.1667  0.9713  1
  O  O81  1  0.4820  0.3290  0.7559  1
  O  O82  1  0.5029  0.6359  0.6438  1
  O  O83  1  0.5043  0.8635  0.1431  1
  O  O84  1  0.5059  0.6635  0.5279  1
  O  O85  1  0.5073  0.3603  0.0758  1
  O  O86  1  0.5097  0.8435  0.4267  1
  O  O87  1  0.5102  0.6734  0.9291  1
  O  O88  1  0.5193  0.1446  0.5768  1
  O  O89  1  0.5197  0.8127  0.7468  1
  O  O90  1  0.5237  0.7078  0.2451  1
  O  O91  1  0.5264  0.8452  0.0273  1
  O  O92  1  0.6258  0.4793  0.5781  1
  O  O93  1  0.6305  0.5447  0.8532  1
  O  O94  1  0.6338  0.0983  0.3527  1
  O  O95  1  0.6416  0.1491  0.0769  1
  O  O96  1  0.6691  0.1529  0.7561  1
  O  O97  1  0.6923  0.5356  0.2489  1
  O  O98  1  0.6927  0.1681  0.4702  1
  O  O99  1  0.6958  0.5228  0.9684  1
  O  O100  1  0.8009  0.8185  0.5801  1
  O  O101  1  0.8020  0.0260  0.6877  1
  O  O102  1  0.8066  0.9751  0.8065  1
  O  O103  1  0.8078  0.8394  0.3068  1
  O  O104  1  0.8125  0.9826  0.0887  1
  O  O105  1  0.8277  0.8204  0.1904  1
  O  O106  1  0.8281  0.3027  0.9697  1
  O  O107  1  0.8358  0.5269  0.4726  1
  O  O108  1  0.8419  0.8203  0.9130  1
  O  O109  1  0.8436  0.3110  0.2478  1
  O  O110  1  0.8471  0.5151  0.7551  1
  O  O111  1  0.8474  0.0339  0.4132  1
  O  O112  1  0.8530  0.4936  0.0756  1
  O  O113  1  0.8530  0.3727  0.5779  1
  O  O114  1  0.9021  0.5205  0.3564  1
  O  O115  1  0.9139  0.3836  0.8563  1
  O  O116  1  0.9724  0.1564  0.9112  1
  O  O117  1  0.9738  0.8157  0.4115  1
  O  O118  1  0.9742  0.7760  0.6873  1
  O  O119  1  0.9936  0.1702  0.1921  1
]