data_[Na6Nb3Ga9P12S6O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  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 [8.5750]
_cell_length_b [8.5762]
_cell_length_c [22.3232]
_cell_angle_alpha [89.7903]
_cell_angle_beta [89.9640]
_cell_angle_gamma [60.0167]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2NbGa3P4(SO12)2]
_chemical_formula_sum '[Na6 Nb3 Ga9 P12 S6 O72]'
_cell_volume [1421.9514]
_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  0.0037  0.9970  0.4997  1
  Na  Na1  1  0.3334  0.3336  0.6662  1
  Na  Na2  1  0.3394  0.3310  0.1616  1
  Na  Na3  1  0.6635  0.6735  0.3324  1
  Na  Na4  1  0.6674  0.6667  0.8301  1
  Na  Na5  1  0.9999  0.0028  0.9989  1
  Nb  Nb6  1  0.3329  0.3326  0.8105  1
  Nb  Nb7  1  0.3333  0.3311  0.3113  1
  Nb  Nb8  1  0.6597  0.6641  0.9786  1
  Ga  Ga9  1  0.0107  0.9811  0.3515  1
  Ga  Ga10  1  0.3239  0.3348  0.5166  1
  Ga  Ga11  1  0.3420  0.3254  0.0180  1
  Ga  Ga12  1  0.6494  0.6779  0.1843  1
  Ga  Ga13  1  0.6662  0.6667  0.6901  1
  Ga  Ga14  1  0.6672  0.6749  0.4804  1
  Ga  Ga15  1  0.9982  0.9989  0.1457  1
  Ga  Ga16  1  0.9997  0.0005  0.8517  1
  Ga  Ga17  1  1.0000  0.0005  0.6543  1
  P  P18  1  0.0396  0.6263  0.4190  1
  P  P19  1  0.0493  0.3252  0.9184  1
  P  P20  1  0.2877  0.9928  0.7493  1
  P  P21  1  0.2887  0.7193  0.2484  1
  P  P22  1  0.3217  0.6251  0.9178  1
  P  P23  1  0.3305  0.0392  0.4188  1
  P  P24  1  0.3696  0.9644  0.0852  1
  P  P25  1  0.6285  0.0469  0.9175  1
  P  P26  1  0.6661  0.3719  0.0866  1
  P  P27  1  0.7193  0.2877  0.7492  1
  P  P28  1  0.7227  0.9896  0.2489  1
  P  P29  1  0.9927  0.7197  0.7492  1
  S  S30  1  0.3770  0.6661  0.5828  1
  S  S31  1  0.6271  0.3324  0.4184  1
  S  S32  1  0.6668  0.9587  0.5834  1
  S  S33  1  0.9550  0.3767  0.5831  1
  S  S34  1  0.9586  0.6649  0.0849  1
  S  S35  1  0.9923  0.2892  0.2496  1
  O  O36  1  0.0214  0.8121  0.4109  1
  O  O37  1  0.0234  0.1644  0.9097  1
  O  O38  1  0.0343  0.1781  0.1959  1
  O  O39  1  0.0375  0.7883  0.6917  1
  O  O40  1  0.1297  0.3653  0.8615  1
  O  O41  1  0.1318  0.5054  0.3625  1
  O  O42  1  0.1371  0.5040  0.0776  1
  O  O43  1  0.1374  0.3593  0.5773  1
  O  O44  1  0.1596  0.0283  0.4088  1
  O  O45  1  0.1599  0.3077  0.2562  1
  O  O46  1  0.1606  0.3006  0.9742  1
  O  O47  1  0.1615  0.5421  0.4739  1
  O  O48  1  0.1635  0.8133  0.9097  1
  O  O49  1  0.1642  0.5274  0.7565  1
  O  O50  1  0.1701  0.7936  0.1930  1
  O  O51  1  0.1743  0.0379  0.6917  1
  O  O52  1  0.1872  0.9732  0.0902  1
  O  O53  1  0.1958  0.8288  0.5885  1
  O  O54  1  0.2086  0.9638  0.8062  1
  O  O55  1  0.2124  0.8261  0.3061  1
  O  O56  1  0.2986  0.5396  0.9743  1
  O  O57  1  0.3003  0.1582  0.4737  1
  O  O58  1  0.3083  0.5263  0.2584  1
  O  O59  1  0.3085  0.1642  0.7564  1
  O  O60  1  0.3538  0.1487  0.0763  1
  O  O61  1  0.3607  0.5008  0.5762  1
  O  O62  1  0.3645  0.1297  0.3622  1
  O  O63  1  0.3651  0.5049  0.8614  1
  O  O64  1  0.4579  0.6968  0.5280  1
  O  O65  1  0.4639  0.8402  0.0289  1
  O  O66  1  0.4787  0.8313  0.7420  1
  O  O67  1  0.4812  0.6864  0.2437  1
  O  O68  1  0.4892  0.6337  0.6369  1
  O  O69  1  0.4914  0.8806  0.1398  1
  O  O70  1  0.4957  0.3602  0.0770  1
  O  O71  1  0.4979  0.6397  0.9231  1
  O  O72  1  0.5023  0.8536  0.4240  1
  O  O73  1  0.5027  0.1405  0.5761  1
  O  O74  1  0.5058  0.1284  0.8613  1
  O  O75  1  0.5125  0.3651  0.3636  1
  O  O76  1  0.5270  0.3088  0.7565  1
  O  O77  1  0.5279  0.1636  0.2586  1
  O  O78  1  0.5445  0.1580  0.9733  1
  O  O79  1  0.5456  0.2998  0.4720  1
  O  O80  1  0.6333  0.8781  0.6370  1
  O  O81  1  0.6366  0.4922  0.1408  1
  O  O82  1  0.6395  0.4977  0.4238  1
  O  O83  1  0.6426  0.8586  0.9242  1
  O  O84  1  0.6900  0.4787  0.7419  1
  O  O85  1  0.6939  0.8276  0.2428  1
  O  O86  1  0.6975  0.4631  0.0291  1
  O  O87  1  0.6991  0.8475  0.5288  1
  O  O88  1  0.7880  0.1745  0.6918  1
  O  O89  1  0.7936  0.0373  0.1932  1
  O  O90  1  0.8046  0.1720  0.4099  1
  O  O91  1  0.8147  0.0226  0.9092  1
  O  O92  1  0.8261  0.9689  0.3072  1
  O  O93  1  0.8275  0.2085  0.8061  1
  O  O94  1  0.8299  0.9764  0.5891  1
  O  O95  1  0.8312  0.6900  0.7419  1
  O  O96  1  0.8381  0.4727  0.2434  1
  O  O97  1  0.8386  0.1875  0.0903  1
  O  O98  1  0.8442  0.4572  0.5283  1
  O  O99  1  0.8454  0.6963  0.0301  1
  O  O100  1  0.8554  0.6371  0.4241  1
  O  O101  1  0.8608  0.5006  0.9243  1
  O  O102  1  0.8758  0.4894  0.6369  1
  O  O103  1  0.8777  0.6339  0.1389  1
  O  O104  1  0.9642  0.8273  0.8060  1
  O  O105  1  0.9668  0.2114  0.3051  1
  O  O106  1  0.9720  0.8300  0.0889  1
  O  O107  1  0.9747  0.1950  0.5888  1
]