data_[Na21Nb3Si18Sn9O72]
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
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.1161]
_cell_length_b [9.1194]
_cell_length_c [22.4337]
_cell_angle_alpha [90.0645]
_cell_angle_beta [90.0378]
_cell_angle_gamma [119.9704]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na7NbSi6(SnO8)3]
_chemical_formula_sum '[Na21 Nb3 Si18 Sn9 O72]'
_cell_volume [1615.5999]
_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  0.0002  0.9999  0.5012  1
  Na  Na1  1  0.0110  0.0006  0.0028  1
  Na  Na2  1  0.0323  0.6952  0.9176  1
  Na  Na3  1  0.0344  0.3333  0.4178  1
  Na  Na4  1  0.2987  0.9653  0.4177  1
  Na  Na5  1  0.3058  0.3363  0.9173  1
  Na  Na6  1  0.3316  0.2960  0.5848  1
  Na  Na7  1  0.3324  0.6579  0.8327  1
  Na  Na8  1  0.3332  0.6665  0.3358  1
  Na  Na9  1  0.3662  0.3626  0.2510  1
  Na  Na10  1  0.3711  0.0049  0.7507  1
  Na  Na11  1  0.6367  0.0034  0.2511  1
  Na  Na12  1  0.6573  0.3248  0.1639  1
  Na  Na13  1  0.6637  0.9670  0.9171  1
  Na  Na14  1  0.6666  0.7013  0.4178  1
  Na  Na15  1  0.6761  0.3430  0.6720  1
  Na  Na16  1  0.7027  0.0349  0.5855  1
  Na  Na17  1  0.7056  0.6707  0.0812  1
  Na  Na18  1  0.9629  0.2966  0.0812  1
  Na  Na19  1  0.9659  0.6691  0.5854  1
  Na  Na20  1  0.9966  0.6325  0.2512  1
  Nb  Nb21  1  0.3332  0.6631  0.6897  1
  Nb  Nb22  1  0.3338  0.6677  0.1848  1
  Nb  Nb23  1  0.9989  0.9999  0.8517  1
  Si  Si24  1  0.0405  0.6694  0.0815  1
  Si  Si25  1  0.0424  0.3751  0.5830  1
  Si  Si26  1  0.2924  0.0012  0.2510  1
  Si  Si27  1  0.2939  0.2932  0.7492  1
  Si  Si28  1  0.3325  0.9580  0.5836  1
  Si  Si29  1  0.3328  0.3710  0.0820  1
  Si  Si30  1  0.3738  0.3335  0.4169  1
  Si  Si31  1  0.3767  0.0430  0.9162  1
  Si  Si32  1  0.6254  0.6678  0.5828  1
  Si  Si33  1  0.6268  0.9621  0.0824  1
  Si  Si34  1  0.6660  0.6229  0.9179  1
  Si  Si35  1  0.6667  0.0402  0.4169  1
  Si  Si36  1  0.7081  0.0027  0.7484  1
  Si  Si37  1  0.7085  0.7073  0.2501  1
  Si  Si38  1  0.9579  0.3338  0.9180  1
  Si  Si39  1  0.9595  0.6263  0.4171  1
  Si  Si40  1  0.9952  0.7032  0.7483  1
  Si  Si41  1  0.9989  0.2912  0.2500  1
  Sn  Sn42  1  0.0005  0.9999  0.3523  1
  Sn  Sn43  1  0.0036  0.0004  0.1471  1
  Sn  Sn44  1  0.3332  0.6666  0.4819  1
  Sn  Sn45  1  0.3333  0.6675  0.9812  1
  Sn  Sn46  1  0.6634  0.3306  0.0206  1
  Sn  Sn47  1  0.6666  0.3332  0.5204  1
  Sn  Sn48  1  0.6669  0.3333  0.3152  1
  Sn  Sn49  1  0.6698  0.3368  0.8133  1
  Sn  Sn50  1  0.9989  0.9996  0.6491  1
  O  O51  1  0.0118  0.8312  0.0875  1
  O  O52  1  0.0230  0.1870  0.5884  1
  O  O53  1  0.0274  0.8319  0.8062  1
  O  O54  1  0.0452  0.2172  0.3092  1
  O  O55  1  0.1401  0.6436  0.1400  1
  O  O56  1  0.1425  0.5057  0.6384  1
  O  O57  1  0.1477  0.6438  0.4208  1
  O  O58  1  0.1495  0.5001  0.9210  1
  O  O59  1  0.1506  0.6970  0.0217  1
  O  O60  1  0.1569  0.4489  0.5223  1
  O  O61  1  0.1571  0.1911  0.0884  1
  O  O62  1  0.1642  0.9792  0.5877  1
  O  O63  1  0.1695  0.4818  0.2427  1
  O  O64  1  0.1701  0.1958  0.8076  1
  O  O65  1  0.1742  0.9534  0.3109  1
  O  O66  1  0.1765  0.7025  0.7444  1
  O  O67  1  0.1845  0.0204  0.9093  1
  O  O68  1  0.1858  0.1625  0.4125  1
  O  O69  1  0.2090  0.0459  0.1952  1
  O  O70  1  0.2142  0.1761  0.6898  1
  O  O71  1  0.2926  0.8422  0.5232  1
  O  O72  1  0.2959  0.4530  0.0232  1
  O  O73  1  0.3062  0.4779  0.7441  1
  O  O74  1  0.3118  0.8303  0.2428  1
  O  O75  1  0.3541  0.8527  0.9212  1
  O  O76  1  0.3561  0.5041  0.4207  1
  O  O77  1  0.3578  0.4971  0.1406  1
  O  O78  1  0.3630  0.8639  0.6408  1
  O  O79  1  0.4536  0.2928  0.4759  1
  O  O80  1  0.4537  0.1708  0.9731  1
  O  O81  1  0.4749  0.3013  0.7558  1
  O  O82  1  0.4825  0.1679  0.2549  1
  O  O83  1  0.4916  0.3732  0.3572  1
  O  O84  1  0.4936  0.1179  0.8567  1
  O  O85  1  0.4953  0.6386  0.6382  1
  O  O86  1  0.4959  0.8522  0.4207  1
  O  O87  1  0.4997  0.6480  0.9217  1
  O  O88  1  0.5049  0.8604  0.1411  1
  O  O89  1  0.5068  0.1442  0.5806  1
  O  O90  1  0.5122  0.3730  0.0816  1
  O  O91  1  0.5177  0.6874  0.2433  1
  O  O92  1  0.5191  0.8302  0.7442  1
  O  O93  1  0.5476  0.8424  0.0238  1
  O  O94  1  0.5508  0.7075  0.5221  1
  O  O95  1  0.6199  0.4946  0.8620  1
  O  O96  1  0.6271  0.1185  0.3573  1
  O  O97  1  0.6367  0.4935  0.5808  1
  O  O98  1  0.6475  0.1495  0.0820  1
  O  O99  1  0.6764  0.1620  0.7546  1
  O  O100  1  0.6866  0.5179  0.2545  1
  O  O101  1  0.7077  0.1611  0.4760  1
  O  O102  1  0.7146  0.5537  0.9784  1
  O  O103  1  0.7829  0.8277  0.3093  1
  O  O104  1  0.8048  0.9763  0.8070  1
  O  O105  1  0.8119  0.9746  0.0889  1
  O  O106  1  0.8138  0.8360  0.5878  1
  O  O107  1  0.8174  0.0316  0.6882  1
  O  O108  1  0.8281  0.7877  0.1917  1
  O  O109  1  0.8309  0.5180  0.7544  1
  O  O110  1  0.8314  0.3132  0.2545  1
  O  O111  1  0.8363  0.8134  0.9091  1
  O  O112  1  0.8380  0.0236  0.4124  1
  O  O113  1  0.8388  0.5461  0.4760  1
  O  O114  1  0.8401  0.2867  0.9782  1
  O  O115  1  0.8567  0.3637  0.5808  1
  O  O116  1  0.8573  0.4921  0.0818  1
  O  O117  1  0.8739  0.3772  0.8621  1
  O  O118  1  0.8818  0.5086  0.3572  1
  O  O119  1  0.9578  0.1706  0.1916  1
  O  O120  1  0.9712  0.7871  0.6878  1
  O  O121  1  0.9758  0.8140  0.4127  1
  O  O122  1  0.9779  0.1630  0.9098  1
]