data_[Na9Al6Ga6P9S9O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  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 [8.4714]
_cell_length_b [8.4825]
_cell_length_c [21.8975]
_cell_angle_alpha [89.0936]
_cell_angle_beta [89.8975]
_cell_angle_gamma [60.0535]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3Al2Ga2P3(SO8)3]
_chemical_formula_sum '[Na9 Al6 Ga6 P9 S9 O72]'
_cell_volume [1363.2286]
_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  0.0019  0.9944  0.0005  1
  Na  Na1  1  0.0031  0.9947  0.5006  1
  Na  Na2  1  0.3322  0.3426  0.1662  1
  Na  Na3  1  0.3334  0.3333  0.6668  1
  Na  Na4  1  0.3614  0.0003  0.2510  1
  Na  Na5  1  0.6632  0.6722  0.8328  1
  Na  Na6  1  0.6666  0.6667  0.3334  1
  Na  Na7  1  0.6946  0.3337  0.9166  1
  Na  Na8  1  0.9710  0.3338  0.4168  1
  Al  Al9  1  0.3188  0.3356  0.5188  1
  Al  Al10  1  0.3458  0.3362  0.0178  1
  Al  Al11  1  0.3489  0.3314  0.8152  1
  Al  Al12  1  0.6756  0.6517  0.6853  1
  Al  Al13  1  0.9911  0.0146  0.6486  1
  Al  Al14  1  0.9971  0.9950  0.8520  1
  Ga  Ga15  1  0.0141  0.9889  0.3517  1
  Ga  Ga16  1  0.3200  0.3441  0.3157  1
  Ga  Ga17  1  0.6600  0.6713  0.9812  1
  Ga  Ga18  1  0.6689  0.6485  0.1848  1
  Ga  Ga19  1  0.6690  0.6716  0.4825  1
  Ga  Ga20  1  0.9990  0.0058  0.1488  1
  P  P21  1  0.0449  0.6267  0.4179  1
  P  P22  1  0.2894  0.7063  0.2489  1
  P  P23  1  0.3254  0.6261  0.9157  1
  P  P24  1  0.3390  0.0417  0.4176  1
  P  P25  1  0.6202  0.0428  0.9165  1
  P  P26  1  0.6657  0.3738  0.0825  1
  P  P27  1  0.7117  0.2881  0.7501  1
  P  P28  1  0.9574  0.3760  0.5841  1
  P  P29  1  0.9966  0.2924  0.2505  1
  S  S30  1  0.0004  0.7115  0.7494  1
  S  S31  1  0.0525  0.3312  0.9161  1
  S  S32  1  0.2886  0.0003  0.7499  1
  S  S33  1  0.3752  0.9613  0.0832  1
  S  S34  1  0.3754  0.6668  0.5842  1
  S  S35  1  0.6178  0.3327  0.4179  1
  S  S36  1  0.6665  0.9577  0.5848  1
  S  S37  1  0.7111  1.0000  0.2502  1
  S  S38  1  0.9593  0.6641  0.0830  1
  O  O39  1  0.0211  0.8170  0.4104  1
  O  O40  1  0.0270  0.1694  0.9096  1
  O  O41  1  0.0335  0.7944  0.6944  1
  O  O42  1  0.0399  0.1701  0.1945  1
  O  O43  1  0.1190  0.5067  0.3611  1
  O  O44  1  0.1315  0.3636  0.8606  1
  O  O45  1  0.1398  0.4986  0.0753  1
  O  O46  1  0.1478  0.3567  0.5759  1
  O  O47  1  0.1594  0.8174  0.9063  1
  O  O48  1  0.1613  0.3005  0.9721  1
  O  O49  1  0.1618  0.0304  0.4118  1
  O  O50  1  0.1621  0.5276  0.7581  1
  O  O51  1  0.1656  0.5372  0.4740  1
  O  O52  1  0.1705  0.7921  0.1917  1
  O  O53  1  0.1729  0.3043  0.2560  1
  O  O54  1  0.1752  0.0307  0.6947  1
  O  O55  1  0.1920  0.8295  0.5927  1
  O  O56  1  0.1946  0.9757  0.0891  1
  O  O57  1  0.2072  0.9658  0.8051  1
  O  O58  1  0.2137  0.8272  0.3054  1
  O  O59  1  0.2954  0.5395  0.9733  1
  O  O60  1  0.3010  0.1662  0.4726  1
  O  O61  1  0.3048  0.1653  0.7574  1
  O  O62  1  0.3140  0.5163  0.2567  1
  O  O63  1  0.3553  0.1437  0.0746  1
  O  O64  1  0.3613  0.5008  0.5766  1
  O  O65  1  0.3669  0.5019  0.8603  1
  O  O66  1  0.3720  0.1208  0.3579  1
  O  O67  1  0.4514  0.7043  0.5284  1
  O  O68  1  0.4552  0.8464  0.0291  1
  O  O69  1  0.4725  0.8371  0.7417  1
  O  O70  1  0.4773  0.6970  0.2427  1
  O  O71  1  0.4877  0.8838  0.1395  1
  O  O72  1  0.4916  0.6357  0.6388  1
  O  O73  1  0.4945  0.3556  0.0748  1
  O  O74  1  0.5014  0.1295  0.8597  1
  O  O75  1  0.5022  0.6395  0.9228  1
  O  O76  1  0.5038  0.1406  0.5760  1
  O  O77  1  0.5052  0.8504  0.4250  1
  O  O78  1  0.5106  0.3661  0.3614  1
  O  O79  1  0.5200  0.3094  0.7579  1
  O  O80  1  0.5272  0.1623  0.2559  1
  O  O81  1  0.5359  0.3026  0.4730  1
  O  O82  1  0.5377  0.1647  0.9727  1
  O  O83  1  0.6279  0.4922  0.1384  1
  O  O84  1  0.6329  0.8725  0.6392  1
  O  O85  1  0.6419  0.4950  0.4230  1
  O  O86  1  0.6449  0.8512  0.9243  1
  O  O87  1  0.6883  0.8380  0.2433  1
  O  O88  1  0.6903  0.4803  0.7414  1
  O  O89  1  0.7017  0.8478  0.5293  1
  O  O90  1  0.7039  0.4559  0.0241  1
  O  O91  1  0.7874  0.0342  0.1942  1
  O  O92  1  0.7984  0.1679  0.6944  1
  O  O93  1  0.8031  0.1709  0.4121  1
  O  O94  1  0.8109  0.0278  0.9081  1
  O  O95  1  0.8220  0.9658  0.3056  1
  O  O96  1  0.8305  0.4826  0.2441  1
  O  O97  1  0.8314  0.2025  0.8085  1
  O  O98  1  0.8324  0.9738  0.5925  1
  O  O99  1  0.8341  0.6953  0.7419  1
  O  O100  1  0.8377  0.1836  0.0900  1
  O  O101  1  0.8404  0.4547  0.5250  1
  O  O102  1  0.8437  0.7012  0.0277  1
  O  O103  1  0.8554  0.6400  0.4241  1
  O  O104  1  0.8654  0.4931  0.9216  1
  O  O105  1  0.8681  0.4994  0.6391  1
  O  O106  1  0.8793  0.6329  0.1387  1
  O  O107  1  0.9618  0.2110  0.3093  1
  O  O108  1  0.9683  0.8240  0.8043  1
  O  O109  1  0.9774  0.8284  0.0892  1
  O  O110  1  0.9784  0.1846  0.5928  1
]