data_[Na21La6Sc6Si3P15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  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 [9.3605]
_cell_length_b [9.3757]
_cell_length_c [23.3447]
_cell_angle_alpha [89.9759]
_cell_angle_beta [89.8663]
_cell_angle_gamma [60.1527]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na7La2Sc2SiP5O24]
_chemical_formula_sum '[Na21 La6 Sc6 Si3 P15 O72]'
_cell_volume [1776.9889]
_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  0.0034  0.9905  0.9954  1
  Na  Na1  1  0.0065  0.0054  0.5015  1
  Na  Na2  1  0.2979  0.6697  0.5840  1
  Na  Na3  1  0.3001  0.0350  0.0802  1
  Na  Na4  1  0.3286  0.3432  0.1683  1
  Na  Na5  1  0.3335  0.6988  0.9162  1
  Na  Na6  1  0.3338  0.3335  0.6681  1
  Na  Na7  1  0.3419  0.9607  0.4210  1
  Na  Na8  1  0.3693  0.9969  0.7496  1
  Na  Na9  1  0.3743  0.6348  0.2493  1
  Na  Na10  1  0.6372  0.0012  0.2439  1
  Na  Na11  1  0.6616  0.6604  0.8327  1
  Na  Na12  1  0.6629  0.6591  0.3336  1
  Na  Na13  1  0.6680  0.2989  0.0848  1
  Na  Na14  1  0.6706  0.0321  0.5871  1
  Na  Na15  1  0.6892  0.3460  0.4165  1
  Na  Na16  1  0.6902  0.9700  0.9147  1
  Na  Na17  1  0.9716  0.6963  0.4224  1
  Na  Na18  1  0.9767  0.3268  0.9172  1
  Na  Na19  1  0.9875  0.3660  0.2491  1
  Na  Na20  1  0.9962  0.6341  0.7473  1
  La  La21  1  0.3212  0.3413  0.0145  1
  La  La22  1  0.3213  0.3371  0.5216  1
  La  La23  1  0.3386  0.3360  0.3242  1
  La  La24  1  0.3458  0.3290  0.8160  1
  La  La25  1  0.9975  0.9907  0.1467  1
  La  La26  1  0.9998  0.9998  0.3437  1
  Sc  Sc27  1  0.0014  0.0047  0.8461  1
  Sc  Sc28  1  0.6661  0.6615  0.4887  1
  Sc  Sc29  1  0.6673  0.6700  0.9829  1
  Sc  Sc30  1  0.6696  0.6565  0.6849  1
  Sc  Sc31  1  0.6702  0.6628  0.1810  1
  Sc  Sc32  1  0.9971  0.0099  0.6493  1
  Si  Si33  1  0.3323  0.0182  0.9159  1
  Si  Si34  1  0.3396  0.6465  0.4207  1
  Si  Si35  1  0.6884  0.3173  0.2471  1
  P  P36  1  0.0147  0.3419  0.4169  1
  P  P37  1  0.0190  0.6499  0.9125  1
  P  P38  1  0.2879  0.7198  0.7462  1
  P  P39  1  0.3181  0.9934  0.2465  1
  P  P40  1  0.3783  0.9453  0.5881  1
  P  P41  1  0.3878  0.6641  0.0822  1
  P  P42  1  0.6422  0.0147  0.4210  1
  P  P43  1  0.6495  0.3321  0.9193  1
  P  P44  1  0.6621  0.9554  0.0819  1
  P  P45  1  0.6773  0.3714  0.5857  1
  P  P46  1  0.7160  0.9892  0.7465  1
  P  P47  1  0.9494  0.6800  0.5878  1
  P  P48  1  0.9531  0.3808  0.0827  1
  P  P49  1  0.9920  0.2941  0.7486  1
  P  P50  1  0.9924  0.6874  0.2505  1
  O  O51  1  0.0104  0.1808  0.6978  1
  O  O52  1  0.0295  0.7769  0.2026  1
  O  O53  1  0.0819  0.3678  0.3595  1
  O  O54  1  0.0926  0.5382  0.8591  1
  O  O55  1  0.1287  0.5324  0.5884  1
  O  O56  1  0.1318  0.3507  0.0850  1
  O  O57  1  0.1403  0.5735  0.9630  1
  O  O58  1  0.1408  0.5106  0.2525  1
  O  O59  1  0.1417  0.3067  0.4644  1
  O  O60  1  0.1523  0.3083  0.7495  1
  O  O61  1  0.1672  0.9999  0.9060  1
  O  O62  1  0.1780  0.8317  0.4173  1
  O  O63  1  0.1813  0.8097  0.6932  1
  O  O64  1  0.2037  0.8220  0.8013  1
  O  O65  1  0.2038  0.0191  0.1952  1
  O  O66  1  0.2043  0.9615  0.5912  1
  O  O67  1  0.2181  0.8245  0.0802  1
  O  O68  1  0.2449  0.9641  0.3020  1
  O  O69  1  0.2880  0.1403  0.9718  1
  O  O70  1  0.2966  0.5499  0.7489  1
  O  O71  1  0.3046  0.5541  0.4739  1
  O  O72  1  0.3353  0.1487  0.2509  1
  O  O73  1  0.3704  0.1146  0.5866  1
  O  O74  1  0.3725  0.5402  0.3613  1
  O  O75  1  0.3754  0.5052  0.0834  1
  O  O76  1  0.3762  0.1003  0.8612  1
  O  O77  1  0.4611  0.8451  0.5326  1
  O  O78  1  0.4617  0.7042  0.7430  1
  O  O79  1  0.4816  0.6666  0.0280  1
  O  O80  1  0.4817  0.6605  0.1371  1
  O  O81  1  0.4852  0.8535  0.6407  1
  O  O82  1  0.4906  0.8393  0.2396  1
  O  O83  1  0.4958  0.8341  0.9244  1
  O  O84  1  0.5011  0.1274  0.0829  1
  O  O85  1  0.5038  0.3374  0.2495  1
  O  O86  1  0.5085  0.6576  0.4288  1
  O  O87  1  0.5176  0.3563  0.5858  1
  O  O88  1  0.5246  0.3777  0.8698  1
  O  O89  1  0.5364  0.1375  0.7471  1
  O  O90  1  0.5413  0.0849  0.3652  1
  O  O91  1  0.5527  0.1316  0.4717  1
  O  O92  1  0.5782  0.2949  0.9736  1
  O  O93  1  0.6591  0.4853  0.6362  1
  O  O94  1  0.6599  0.8429  0.4295  1
  O  O95  1  0.6605  0.8651  0.1371  1
  O  O96  1  0.6655  0.8584  0.0279  1
  O  O97  1  0.6733  0.4990  0.2406  1
  O  O98  1  0.6771  0.4814  0.9261  1
  O  O99  1  0.6902  0.4512  0.5291  1
  O  O100  1  0.7026  0.8283  0.7442  1
  O  O101  1  0.7801  0.1934  0.1931  1
  O  O102  1  0.7958  0.2404  0.3059  1
  O  O103  1  0.8054  0.0052  0.6931  1
  O  O104  1  0.8106  0.9853  0.0785  1
  O  O105  1  0.8139  0.9789  0.8015  1
  O  O106  1  0.8150  0.9979  0.4166  1
  O  O107  1  0.8174  0.1750  0.9067  1
  O  O108  1  0.8271  0.1940  0.5906  1
  O  O109  1  0.8324  0.6816  0.2402  1
  O  O110  1  0.8422  0.4715  0.7434  1
  O  O111  1  0.8491  0.6636  0.9241  1
  O  O112  1  0.8492  0.5017  0.4279  1
  O  O113  1  0.8537  0.6897  0.5323  1
  O  O114  1  0.8580  0.6647  0.6406  1
  O  O115  1  0.8586  0.4741  0.0285  1
  O  O116  1  0.8623  0.4748  0.1375  1
  O  O117  1  0.9625  0.8409  0.5899  1
  O  O118  1  0.9646  0.2083  0.0808  1
  O  O119  1  0.9654  0.7824  0.3075  1
  O  O120  1  0.9784  0.2135  0.8050  1
  O  O121  1  0.9878  0.1920  0.4158  1
  O  O122  1  0.9942  0.8254  0.9044  1
]