data_[Na9Sc6Ta6Si3P15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Ta  1.5000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.8729]
_cell_length_b [8.8871]
_cell_length_c [22.7758]
_cell_angle_alpha [90.0231]
_cell_angle_beta [90.0142]
_cell_angle_gamma [119.9307]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3Sc2Ta2SiP5O24]
_chemical_formula_sum '[Na9 Sc6 Ta6 Si3 P15 O72]'
_cell_volume [1556.4406]
_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  0.0051  0.0102  0.0038  1
  Na  Na1  1  0.0136  0.0143  0.5041  1
  Na  Na2  1  0.3329  0.6749  0.8386  1
  Na  Na3  1  0.3330  0.6656  0.3378  1
  Na  Na4  1  0.3676  0.3599  0.7515  1
  Na  Na5  1  0.6585  0.3246  0.1721  1
  Na  Na6  1  0.6760  0.3293  0.6712  1
  Na  Na7  1  0.6992  0.6730  0.5865  1
  Na  Na8  1  0.9768  0.6768  0.0834  1
  Sc  Sc9  1  0.0035  0.0065  0.1474  1
  Sc  Sc10  1  0.0037  0.0027  0.6473  1
  Sc  Sc11  1  0.3300  0.6609  0.4796  1
  Sc  Sc12  1  0.3335  0.6694  0.9804  1
  Sc  Sc13  1  0.6667  0.3337  0.3134  1
  Sc  Sc14  1  0.6724  0.3373  0.8140  1
  Ta  Ta15  1  0.0003  0.0004  0.3537  1
  Ta  Ta16  1  0.3357  0.6689  0.6866  1
  Ta  Ta17  1  0.3367  0.6709  0.1878  1
  Ta  Ta18  1  0.6601  0.3267  0.0198  1
  Ta  Ta19  1  0.6638  0.3299  0.5195  1
  Ta  Ta20  1  0.9950  0.9948  0.8542  1
  Si  Si21  1  0.3277  0.3709  0.5818  1
  Si  Si22  1  0.3335  0.9577  0.0827  1
  Si  Si23  1  0.7097  0.7086  0.7474  1
  P  P24  1  0.0004  0.7099  0.2485  1
  P  P25  1  0.0439  0.6653  0.5818  1
  P  P26  1  0.0451  0.3774  0.0823  1
  P  P27  1  0.2882  0.9966  0.7505  1
  P  P28  1  0.2898  0.2909  0.2495  1
  P  P29  1  0.3741  0.3323  0.9146  1
  P  P30  1  0.3765  0.0432  0.4149  1
  P  P31  1  0.6208  0.9576  0.5821  1
  P  P32  1  0.6214  0.6656  0.0828  1
  P  P33  1  0.6678  0.0440  0.9153  1
  P  P34  1  0.6684  0.6245  0.4155  1
  P  P35  1  0.7099  0.9991  0.2494  1
  P  P36  1  0.9557  0.3322  0.4150  1
  P  P37  1  0.9576  0.6244  0.9166  1
  P  P38  1  0.9987  0.2889  0.7495  1
  O  O39  1  0.0075  0.8148  0.5889  1
  O  O40  1  0.0129  0.1952  0.0905  1
  O  O41  1  0.0284  0.8312  0.3035  1
  O  O42  1  0.0364  0.2040  0.8049  1
  O  O43  1  0.1319  0.6382  0.6380  1
  O  O44  1  0.1324  0.4988  0.1378  1
  O  O45  1  0.1366  0.4880  0.4217  1
  O  O46  1  0.1390  0.6487  0.9219  1
  O  O47  1  0.1536  0.4597  0.0280  1
  O  O48  1  0.1536  0.6930  0.5280  1
  O  O49  1  0.1640  0.9773  0.0904  1
  O  O50  1  0.1675  0.1797  0.5884  1
  O  O51  1  0.1701  0.1985  0.3051  1
  O  O52  1  0.1708  0.4722  0.7433  1
  O  O53  1  0.1709  0.9711  0.8061  1
  O  O54  1  0.1713  0.6963  0.2434  1
  O  O55  1  0.1928  0.1617  0.9104  1
  O  O56  1  0.1932  0.0319  0.4089  1
  O  O57  1  0.2057  0.1818  0.1956  1
  O  O58  1  0.2088  0.0326  0.6971  1
  O  O59  1  0.2978  0.8345  0.0272  1
  O  O60  1  0.2986  0.8278  0.7435  1
  O  O61  1  0.3012  0.4727  0.2435  1
  O  O62  1  0.3120  0.4699  0.5262  1
  O  O63  1  0.3505  0.8631  0.4232  1
  O  O64  1  0.3514  0.4889  0.9231  1
  O  O65  1  0.3649  0.8614  0.1414  1
  O  O66  1  0.3672  0.5007  0.6416  1
  O  O67  1  0.4670  0.1633  0.4711  1
  O  O68  1  0.4686  0.1546  0.7587  1
  O  O69  1  0.4710  0.3066  0.9698  1
  O  O70  1  0.4710  0.3161  0.2573  1
  O  O71  1  0.4785  0.3539  0.8594  1
  O  O72  1  0.4858  0.1304  0.3616  1
  O  O73  1  0.5022  0.8701  0.6383  1
  O  O74  1  0.5035  0.6336  0.1387  1
  O  O75  1  0.5120  0.1505  0.0749  1
  O  O76  1  0.5136  0.6946  0.7429  1
  O  O77  1  0.5144  0.8623  0.9233  1
  O  O78  1  0.5150  0.6535  0.4226  1
  O  O79  1  0.5157  0.3671  0.5748  1
  O  O80  1  0.5272  0.8260  0.2440  1
  O  O81  1  0.5371  0.8445  0.5289  1
  O  O82  1  0.5381  0.6900  0.0286  1
  O  O83  1  0.6373  0.1407  0.5755  1
  O  O84  1  0.6413  0.4983  0.0756  1
  O  O85  1  0.6440  0.1288  0.8617  1
  O  O86  1  0.6454  0.5132  0.3625  1
  O  O87  1  0.6694  0.5114  0.7557  1
  O  O88  1  0.6815  0.1529  0.2571  1
  O  O89  1  0.6957  0.1635  0.9713  1
  O  O90  1  0.6981  0.5377  0.4726  1
  O  O91  1  0.7992  0.9757  0.5903  1
  O  O92  1  0.8012  0.9718  0.3052  1
  O  O93  1  0.8052  0.8176  0.0909  1
  O  O94  1  0.8091  0.8367  0.8058  1
  O  O95  1  0.8164  0.7898  0.6886  1
  O  O96  1  0.8168  0.0217  0.1954  1
  O  O97  1  0.8378  0.3032  0.4710  1
  O  O98  1  0.8405  0.8075  0.4087  1
  O  O99  1  0.8408  0.0347  0.9100  1
  O  O100  1  0.8435  0.3139  0.7571  1
  O  O101  1  0.8439  0.5401  0.9735  1
  O  O102  1  0.8446  0.5292  0.2568  1
  O  O103  1  0.8593  0.4946  0.5752  1
  O  O104  1  0.8639  0.3728  0.0757  1
  O  O105  1  0.8684  0.5158  0.8631  1
  O  O106  1  0.8685  0.3535  0.3613  1
  O  O107  1  0.9692  0.1614  0.4087  1
  O  O108  1  0.9713  0.8089  0.9100  1
  O  O109  1  0.9771  0.7905  0.1930  1
  O  O110  1  0.9776  0.1819  0.6954  1
]