data_[Na6La9Ta3P12S6O72]
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
  Ta  1.5000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.2875]
_cell_length_b [9.2995]
_cell_length_c [24.2729]
_cell_angle_alpha [90.2421]
_cell_angle_beta [90.1233]
_cell_angle_gamma [119.8969]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2La3TaP4(SO12)2]
_chemical_formula_sum '[Na6 La9 Ta3 P12 S6 O72]'
_cell_volume [1817.4105]
_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  0.3287  0.6599  0.8328  1
  Na  Na1  1  0.3464  0.6523  0.3291  1
  Na  Na2  1  0.6393  0.3148  0.1605  1
  Na  Na3  1  0.6659  0.3311  0.6773  1
  Na  Na4  1  0.9830  0.9960  0.5040  1
  Na  Na5  1  0.9977  0.9853  0.0008  1
  La  La6  1  0.0013  0.0048  0.1456  1
  La  La7  1  0.0019  0.9997  0.8538  1
  La  La8  1  0.3322  0.6559  0.4750  1
  La  La9  1  0.3340  0.6669  0.6917  1
  La  La10  1  0.3448  0.6719  0.1860  1
  La  La11  1  0.6605  0.3326  0.0182  1
  La  La12  1  0.6740  0.3414  0.5192  1
  La  La13  1  0.9923  0.0048  0.3504  1
  La  La14  1  0.9991  0.9997  0.6643  1
  Ta  Ta15  1  0.3434  0.6798  0.9761  1
  Ta  Ta16  1  0.6677  0.3348  0.3152  1
  Ta  Ta17  1  0.6684  0.3359  0.8227  1
  P  P18  1  0.3150  0.3004  0.2535  1
  P  P19  1  0.3176  0.9428  0.0778  1
  P  P20  1  0.3226  0.0193  0.7557  1
  P  P21  1  0.3847  0.3596  0.9169  1
  P  P22  1  0.6271  0.6836  0.0762  1
  P  P23  1  0.6495  0.0335  0.9175  1
  P  P24  1  0.6605  0.6182  0.4120  1
  P  P25  1  0.6969  0.0165  0.2523  1
  P  P26  1  0.6975  0.6786  0.7558  1
  P  P27  1  0.9593  0.3438  0.4121  1
  P  P28  1  0.9726  0.6151  0.9187  1
  P  P29  1  0.9817  0.3031  0.7559  1
  S  S30  1  0.0386  0.6801  0.5835  1
  S  S31  1  0.0594  0.3814  0.0764  1
  S  S32  1  0.3211  0.3552  0.5841  1
  S  S33  1  0.3861  0.0436  0.4107  1
  S  S34  1  0.6395  0.9633  0.5830  1
  S  S35  1  0.9827  0.6793  0.2538  1
  O  O36  1  0.0063  0.7815  0.3025  1
  O  O37  1  0.0081  0.7909  0.9089  1
  O  O38  1  0.0180  0.2174  0.8023  1
  O  O39  1  0.0216  0.8305  0.5832  1
  O  O40  1  0.0489  0.2160  0.0738  1
  O  O41  1  0.1199  0.6450  0.2491  1
  O  O42  1  0.1237  0.4839  0.7501  1
  O  O43  1  0.1261  0.6778  0.5324  1
  O  O44  1  0.1279  0.5061  0.4069  1
  O  O45  1  0.1303  0.6786  0.6328  1
  O  O46  1  0.1396  0.4634  0.1282  1
  O  O47  1  0.1472  0.6217  0.9248  1
  O  O48  1  0.1588  0.4805  0.0273  1
  O  O49  1  0.1588  0.9576  0.0744  1
  O  O50  1  0.1692  0.1895  0.5843  1
  O  O51  1  0.2008  0.9811  0.8023  1
  O  O52  1  0.2074  0.2131  0.3033  1
  O  O53  1  0.2090  0.2203  0.9061  1
  O  O54  1  0.2183  0.0205  0.4083  1
  O  O55  1  0.2430  0.1996  0.1997  1
  O  O56  1  0.2574  0.0538  0.7013  1
  O  O57  1  0.3131  0.8494  0.1296  1
  O  O58  1  0.3170  0.8340  0.0248  1
  O  O59  1  0.3198  0.4429  0.5329  1
  O  O60  1  0.3257  0.4512  0.6330  1
  O  O61  1  0.3475  0.4789  0.2505  1
  O  O62  1  0.3623  0.8778  0.7494  1
  O  O63  1  0.3801  0.5275  0.9229  1
  O  O64  1  0.3802  0.8814  0.4066  1
  O  O65  1  0.4505  0.3293  0.9698  1
  O  O66  1  0.4643  0.1271  0.4627  1
  O  O67  1  0.4714  0.3370  0.5849  1
  O  O68  1  0.4753  0.1132  0.0781  1
  O  O69  1  0.4791  0.8580  0.9239  1
  O  O70  1  0.4877  0.1480  0.3626  1
  O  O71  1  0.4921  0.1824  0.7709  1
  O  O72  1  0.4922  0.3149  0.2648  1
  O  O73  1  0.5010  0.6311  0.4060  1
  O  O74  1  0.5083  0.3770  0.8683  1
  O  O75  1  0.5158  0.8758  0.2491  1
  O  O76  1  0.5159  0.6382  0.7498  1
  O  O77  1  0.5164  0.6836  0.0242  1
  O  O78  1  0.5353  0.6774  0.1288  1
  O  O79  1  0.5473  0.8727  0.6322  1
  O  O80  1  0.5499  0.8729  0.5318  1
  O  O81  1  0.6269  0.1329  0.8686  1
  O  O82  1  0.6479  0.5309  0.0754  1
  O  O83  1  0.6549  0.5317  0.4663  1
  O  O84  1  0.6555  0.1306  0.5840  1
  O  O85  1  0.6612  0.5047  0.3624  1
  O  O86  1  0.6765  0.1275  0.9707  1
  O  O87  1  0.6879  0.1807  0.2640  1
  O  O88  1  0.6918  0.5092  0.7706  1
  O  O89  1  0.7775  0.9862  0.3023  1
  O  O90  1  0.7819  0.8003  0.8026  1
  O  O91  1  0.7858  0.9929  0.9075  1
  O  O92  1  0.7957  0.7426  0.7013  1
  O  O93  1  0.7964  0.8463  0.0741  1
  O  O94  1  0.7992  0.0428  0.1995  1
  O  O95  1  0.8071  0.9796  0.5829  1
  O  O96  1  0.8171  0.7885  0.4111  1
  O  O97  1  0.8187  0.3102  0.7708  1
  O  O98  1  0.8247  0.5117  0.2618  1
  O  O99  1  0.8438  0.3372  0.3622  1
  O  O100  1  0.8705  0.5293  0.5855  1
  O  O101  1  0.8706  0.4943  0.8687  1
  O  O102  1  0.8731  0.3409  0.4661  1
  O  O103  1  0.8759  0.5453  0.9711  1
  O  O104  1  0.8917  0.3603  0.0760  1
  O  O105  1  0.9463  0.2045  0.7010  1
  O  O106  1  0.9563  0.7508  0.2033  1
  O  O107  1  0.9834  0.1925  0.4116  1
]