data_[Na18Zn9Sn3P12S6O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
  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 [9.0040]
_cell_length_b [9.0121]
_cell_length_c [22.1052]
_cell_angle_alpha [89.7018]
_cell_angle_beta [89.9712]
_cell_angle_gamma [60.2122]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na6Zn3SnP4(SO12)2]
_chemical_formula_sum '[Na18 Zn9 Sn3 P12 S6 O72]'
_cell_volume [1556.6907]
_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  0.0057  0.9947  0.5058  1
  Na  Na1  1  0.0061  0.3596  0.2545  1
  Na  Na2  1  0.0076  0.0068  0.0082  1
  Na  Na3  1  0.0204  0.3020  0.5887  1
  Na  Na4  1  0.0280  0.6775  0.0885  1
  Na  Na5  1  0.3289  0.7108  0.9196  1
  Na  Na6  1  0.3342  0.9689  0.4196  1
  Na  Na7  1  0.3464  0.3441  0.1700  1
  Na  Na8  1  0.3482  0.3331  0.6715  1
  Na  Na9  1  0.6431  0.0072  0.2513  1
  Na  Na10  1  0.6528  0.6760  0.8285  1
  Na  Na11  1  0.6692  0.6614  0.3360  1
  Na  Na12  1  0.6754  0.0217  0.5892  1
  Na  Na13  1  0.7039  0.9543  0.9158  1
  Na  Na14  1  0.7132  0.3279  0.4185  1
  Na  Na15  1  0.9533  0.7054  0.4156  1
  Na  Na16  1  0.9681  0.3357  0.9178  1
  Na  Na17  1  0.9981  0.6351  0.7469  1
  Zn  Zn18  1  0.0101  0.9926  0.6487  1
  Zn  Zn19  1  0.0126  0.9922  0.8458  1
  Zn  Zn20  1  0.3299  0.3262  0.8179  1
  Zn  Zn21  1  0.3326  0.3418  0.3157  1
  Zn  Zn22  1  0.6566  0.6656  0.6747  1
  Zn  Zn23  1  0.6646  0.6710  0.9896  1
  Zn  Zn24  1  0.6685  0.6698  0.4939  1
  Zn  Zn25  1  0.9805  0.0096  0.3433  1
  Zn  Zn26  1  0.9909  0.0053  0.1486  1
  Sn  Sn27  1  0.3318  0.3296  0.0195  1
  Sn  Sn28  1  0.3338  0.3333  0.5182  1
  Sn  Sn29  1  0.6632  0.6637  0.1798  1
  P  P30  1  0.0372  0.6298  0.9144  1
  P  P31  1  0.0378  0.3316  0.4143  1
  P  P32  1  0.3345  0.0373  0.9152  1
  P  P33  1  0.3675  0.6664  0.0794  1
  P  P34  1  0.3691  0.9629  0.5812  1
  P  P35  1  0.6285  0.0365  0.4146  1
  P  P36  1  0.6643  0.9674  0.0819  1
  P  P37  1  0.6652  0.3694  0.5817  1
  P  P38  1  0.7005  0.3012  0.2499  1
  P  P39  1  0.9642  0.3660  0.0808  1
  P  P40  1  0.9678  0.6659  0.5837  1
  P  P41  1  0.9995  0.7016  0.2482  1
  S  S42  1  0.2980  0.9936  0.2501  1
  S  S43  1  0.3018  0.6991  0.7513  1
  S  S44  1  0.3332  0.6300  0.4154  1
  S  S45  1  0.6263  0.3327  0.9150  1
  S  S46  1  0.7022  0.0016  0.7505  1
  S  S47  1  0.9972  0.2999  0.7501  1
  O  O48  1  0.0121  0.1990  0.6956  1
  O  O49  1  0.0170  0.8115  0.9116  1
  O  O50  1  0.0184  0.7865  0.1915  1
  O  O51  1  0.0283  0.1643  0.4122  1
  O  O52  1  0.1225  0.5189  0.8587  1
  O  O53  1  0.1236  0.3606  0.3590  1
  O  O54  1  0.1416  0.3643  0.0798  1
  O  O55  1  0.1482  0.4968  0.5781  1
  O  O56  1  0.1485  0.5151  0.2529  1
  O  O57  1  0.1497  0.3053  0.4733  1
  O  O58  1  0.1529  0.3206  0.7518  1
  O  O59  1  0.1553  0.5472  0.9725  1
  O  O60  1  0.1676  0.0261  0.9107  1
  O  O61  1  0.1781  0.8017  0.4111  1
  O  O62  1  0.1841  0.9978  0.5882  1
  O  O63  1  0.1855  0.7891  0.6999  1
  O  O64  1  0.1875  0.8196  0.0865  1
  O  O65  1  0.1918  0.0135  0.1976  1
  O  O66  1  0.2269  0.9701  0.3076  1
  O  O67  1  0.2286  0.7927  0.8094  1
  O  O68  1  0.2976  0.1542  0.9731  1
  O  O69  1  0.3006  0.5527  0.4715  1
  O  O70  1  0.3118  0.5280  0.7543  1
  O  O71  1  0.3209  0.1469  0.2526  1
  O  O72  1  0.3483  0.5000  0.0790  1
  O  O73  1  0.3529  0.1492  0.5786  1
  O  O74  1  0.3603  0.5217  0.3629  1
  O  O75  1  0.3733  0.1197  0.8616  1
  O  O76  1  0.4418  0.8684  0.5210  1
  O  O77  1  0.4496  0.6823  0.0211  1
  O  O78  1  0.4729  0.6818  0.7448  1
  O  O79  1  0.4776  0.8393  0.2456  1
  O  O80  1  0.4823  0.6354  0.1366  1
  O  O81  1  0.4875  0.6468  0.4222  1
  O  O82  1  0.4904  0.8818  0.6347  1
  O  O83  1  0.4915  0.8561  0.9221  1
  O  O84  1  0.4998  0.1482  0.0797  1
  O  O85  1  0.5034  0.3428  0.5781  1
  O  O86  1  0.5164  0.3610  0.8623  1
  O  O87  1  0.5172  0.1232  0.3588  1
  O  O88  1  0.5223  0.3163  0.2553  1
  O  O89  1  0.5305  0.1556  0.7541  1
  O  O90  1  0.5463  0.1528  0.4725  1
  O  O91  1  0.5496  0.3002  0.9712  1
  O  O92  1  0.6350  0.8838  0.1407  1
  O  O93  1  0.6385  0.4789  0.6368  1
  O  O94  1  0.6430  0.8588  0.4214  1
  O  O95  1  0.6451  0.4860  0.9213  1
  O  O96  1  0.6865  0.4838  0.2431  1
  O  O97  1  0.6881  0.8605  0.0253  1
  O  O98  1  0.6906  0.4455  0.5221  1
  O  O99  1  0.6913  0.8415  0.7475  1
  O  O100  1  0.7878  0.0180  0.6954  1
  O  O101  1  0.7922  0.1836  0.1973  1
  O  O102  1  0.7983  0.1778  0.9111  1
  O  O103  1  0.8068  0.2379  0.3098  1
  O  O104  1  0.8070  0.9802  0.8063  1
  O  O105  1  0.8101  0.0170  0.4128  1
  O  O106  1  0.8239  0.1865  0.5872  1
  O  O107  1  0.8249  0.6903  0.2446  1
  O  O108  1  0.8266  0.9798  0.0883  1
  O  O109  1  0.8443  0.4751  0.7476  1
  O  O110  1  0.8579  0.4908  0.4202  1
  O  O111  1  0.8596  0.6437  0.9211  1
  O  O112  1  0.8616  0.4510  0.0232  1
  O  O113  1  0.8632  0.6937  0.5249  1
  O  O114  1  0.8829  0.4849  0.1383  1
  O  O115  1  0.8888  0.6294  0.6399  1
  O  O116  1  0.9687  0.8079  0.3069  1
  O  O117  1  0.9822  0.2173  0.8067  1
  O  O118  1  0.9850  0.8266  0.5900  1
  O  O119  1  0.9899  0.1885  0.0892  1
]