data_[Na9In12P9S9O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  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 [8.9454]
_cell_length_b [8.9580]
_cell_length_c [23.3530]
_cell_angle_alpha [90.8443]
_cell_angle_beta [90.0975]
_cell_angle_gamma [119.9451]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3In4P3(SO8)3]
_chemical_formula_sum '[Na9 In12 P9 S9 O72]'
_cell_volume [1621.2502]
_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  0.0072  0.5001  1
  Na  Na1  1  0.0061  0.0072  0.0004  1
  Na  Na2  1  0.3207  0.6528  0.1664  1
  Na  Na3  1  0.3334  0.6667  0.6667  1
  Na  Na4  1  0.6412  0.9996  0.2517  1
  Na  Na5  1  0.6651  0.3261  0.8331  1
  Na  Na6  1  0.6666  0.3335  0.3334  1
  Na  Na7  1  0.6926  0.6668  0.4167  1
  Na  Na8  1  0.9745  0.6667  0.9167  1
  In  In9  1  0.0003  0.0113  0.3502  1
  In  In10  1  0.0065  0.0060  0.8503  1
  In  In11  1  0.3219  0.6645  0.0172  1
  In  In12  1  0.3235  0.6681  0.8162  1
  In  In13  1  0.3326  0.6549  0.3165  1
  In  In14  1  0.3425  0.6651  0.5174  1
  In  In15  1  0.6608  0.3268  0.4832  1
  In  In16  1  0.6673  0.3284  0.9830  1
  In  In17  1  0.6724  0.3459  0.6840  1
  In  In18  1  0.6800  0.3514  0.1837  1
  In  In19  1  0.9941  0.9876  0.6494  1
  In  In20  1  0.9965  0.9942  0.1495  1
  P  P21  1  0.0005  0.7059  0.7507  1
  P  P22  1  0.0013  0.2950  0.2484  1
  P  P23  1  0.0393  0.3694  0.9163  1
  P  P24  1  0.3311  0.3687  0.4173  1
  P  P25  1  0.3368  0.9638  0.9169  1
  P  P26  1  0.6257  0.9623  0.4160  1
  P  P27  1  0.6663  0.6276  0.5826  1
  P  P28  1  0.7068  0.7062  0.2512  1
  P  P29  1  0.9627  0.6308  0.0823  1
  S  S30  1  0.0416  0.6678  0.4172  1
  S  S31  1  0.2947  0.2949  0.7491  1
  S  S32  1  0.2954  0.0001  0.2499  1
  S  S33  1  0.3721  0.0385  0.5843  1
  S  S34  1  0.3724  0.3334  0.0834  1
  S  S35  1  0.6241  0.6668  0.9166  1
  S  S36  1  0.6654  0.0370  0.0841  1
  S  S37  1  0.7041  0.0002  0.7498  1
  S  S38  1  0.9625  0.3331  0.5836  1
  O  O39  1  0.0152  0.1869  0.9098  1
  O  O40  1  0.0183  0.8207  0.4120  1
  O  O41  1  0.0298  0.8171  0.6979  1
  O  O42  1  0.0314  0.2133  0.1945  1
  O  O43  1  0.1166  0.4832  0.8634  1
  O  O44  1  0.1169  0.6397  0.3647  1
  O  O45  1  0.1332  0.4912  0.5781  1
  O  O46  1  0.1438  0.6478  0.0789  1
  O  O47  1  0.1455  0.6950  0.4694  1
  O  O48  1  0.1495  0.4463  0.9708  1
  O  O49  1  0.1586  0.4777  0.2549  1
  O  O50  1  0.1638  0.6876  0.7541  1
  O  O51  1  0.1657  0.9706  0.9115  1
  O  O52  1  0.1734  0.1864  0.4110  1
  O  O53  1  0.1867  0.2163  0.6971  1
  O  O54  1  0.1913  0.9713  0.1977  1
  O  O55  1  0.1986  0.1785  0.0883  1
  O  O56  1  0.2004  0.0256  0.5895  1
  O  O57  1  0.2187  0.1925  0.8011  1
  O  O58  1  0.2198  0.0292  0.3020  1
  O  O59  1  0.2979  0.4471  0.4711  1
  O  O60  1  0.3006  0.8499  0.9699  1
  O  O61  1  0.3157  0.4695  0.7553  1
  O  O62  1  0.3171  0.8464  0.2552  1
  O  O63  1  0.3511  0.8640  0.5780  1
  O  O64  1  0.3592  0.4917  0.0782  1
  O  O65  1  0.3695  0.8866  0.8625  1
  O  O66  1  0.3698  0.4827  0.3642  1
  O  O67  1  0.4481  0.1409  0.5322  1
  O  O68  1  0.4493  0.3042  0.0313  1
  O  O69  1  0.4663  0.3078  0.7438  1
  O  O70  1  0.4717  0.1534  0.2440  1
  O  O71  1  0.4764  0.3586  0.1358  1
  O  O72  1  0.4800  0.1171  0.6362  1
  O  O73  1  0.4951  0.1462  0.9235  1
  O  O74  1  0.5022  0.3623  0.4225  1
  O  O75  1  0.5031  0.6461  0.5793  1
  O  O76  1  0.5114  0.8629  0.0778  1
  O  O77  1  0.5195  0.8859  0.3599  1
  O  O78  1  0.5204  0.6389  0.8643  1
  O  O79  1  0.5292  0.6994  0.2552  1
  O  O80  1  0.5333  0.8421  0.7552  1
  O  O81  1  0.5451  0.8479  0.4684  1
  O  O82  1  0.5484  0.6946  0.9690  1
  O  O83  1  0.6367  0.1130  0.1372  1
  O  O84  1  0.6369  0.5163  0.6354  1
  O  O85  1  0.6474  0.5133  0.9214  1
  O  O86  1  0.6493  0.1446  0.4227  1
  O  O87  1  0.6824  0.5236  0.2458  1
  O  O88  1  0.6846  0.1550  0.7439  1
  O  O89  1  0.6909  0.1421  0.0330  1
  O  O90  1  0.6963  0.5499  0.5267  1
  O  O91  1  0.7824  0.9739  0.6976  1
  O  O92  1  0.7863  0.8206  0.1986  1
  O  O93  1  0.8009  0.8202  0.9119  1
  O  O94  1  0.8033  0.9687  0.4118  1
  O  O95  1  0.8115  0.0312  0.8019  1
  O  O96  1  0.8145  0.7833  0.3070  1
  O  O97  1  0.8233  0.0231  0.0886  1
  O  O98  1  0.8288  0.2998  0.2434  1
  O  O99  1  0.8300  0.8093  0.5875  1
  O  O100  1  0.8367  0.5243  0.7459  1
  O  O101  1  0.8549  0.5525  0.0263  1
  O  O102  1  0.8552  0.3020  0.5313  1
  O  O103  1  0.8616  0.3626  0.9218  1
  O  O104  1  0.8651  0.5135  0.4218  1
  O  O105  1  0.8821  0.5193  0.1350  1
  O  O106  1  0.8841  0.3593  0.6357  1
  O  O107  1  0.9637  0.1833  0.3021  1
  O  O108  1  0.9704  0.7834  0.8067  1
  O  O109  1  0.9797  0.8117  0.0880  1
  O  O110  1  0.9820  0.1783  0.5894  1
]