data_[Na15Sc6Zn6P9S9O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  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 [8.9556]
_cell_length_b [8.9660]
_cell_length_c [22.4203]
_cell_angle_alpha [89.9398]
_cell_angle_beta [89.9717]
_cell_angle_gamma [60.0693]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na5Sc2Zn2P3(SO8)3]
_chemical_formula_sum '[Na15 Sc6 Zn6 P9 S9 O72]'
_cell_volume [1560.1579]
_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  0.0067  0.0110  0.0047  1
  Na  Na1  1  0.2993  0.0413  0.9204  1
  Na  Na2  1  0.3064  0.6541  0.4147  1
  Na  Na3  1  0.3182  0.3629  0.8385  1
  Na  Na4  1  0.3257  0.3300  0.3375  1
  Na  Na5  1  0.6331  0.3692  0.2562  1
  Na  Na6  1  0.6341  0.6879  0.1708  1
  Na  Na7  1  0.6386  0.6812  0.6695  1
  Na  Na8  1  0.6409  0.9856  0.7478  1
  Na  Na9  1  0.6663  0.0357  0.4222  1
  Na  Na10  1  0.6944  0.9731  0.0888  1
  Na  Na11  1  0.9645  0.7093  0.5869  1
  Na  Na12  1  0.9850  0.0289  0.5053  1
  Na  Na13  1  0.9956  0.6447  0.2541  1
  Na  Na14  1  0.9992  0.3687  0.7569  1
  Sc  Sc15  1  0.0050  0.9952  0.8507  1
  Sc  Sc16  1  0.3372  0.3275  0.6841  1
  Sc  Sc17  1  0.3380  0.3223  0.1839  1
  Sc  Sc18  1  0.6709  0.6634  0.5172  1
  Sc  Sc19  1  0.6717  0.6551  0.0175  1
  Sc  Sc20  1  0.9969  0.9985  0.3505  1
  Zn  Zn21  1  0.0030  0.9940  0.6539  1
  Zn  Zn22  1  0.0241  0.9899  0.1518  1
  Zn  Zn23  1  0.3116  0.3371  0.9854  1
  Zn  Zn24  1  0.3401  0.3313  0.4856  1
  Zn  Zn25  1  0.6624  0.6716  0.3191  1
  Zn  Zn26  1  0.6709  0.6652  0.8188  1
  P  P27  1  0.2975  0.9947  0.7496  1
  P  P28  1  0.3008  0.7018  0.2505  1
  P  P29  1  0.3310  0.0345  0.0797  1
  P  P30  1  0.6343  0.0363  0.5819  1
  P  P31  1  0.6671  0.3716  0.4147  1
  P  P32  1  0.7061  0.9969  0.2472  1
  P  P33  1  0.9637  0.3705  0.9135  1
  P  P34  1  0.9668  0.6603  0.4154  1
  P  P35  1  0.9997  0.7029  0.7480  1
  S  S36  1  0.0001  0.2934  0.2486  1
  S  S37  1  0.0373  0.6309  0.0833  1
  S  S38  1  0.0398  0.3298  0.5830  1
  S  S39  1  0.3338  0.6300  0.5820  1
  S  S40  1  0.3706  0.9634  0.4166  1
  S  S41  1  0.3748  0.6610  0.9162  1
  S  S42  1  0.6266  0.3324  0.0825  1
  S  S43  1  0.6672  0.9648  0.9169  1
  S  S44  1  0.7058  0.2950  0.7492  1
  O  O45  1  0.0073  0.8091  0.0867  1
  O  O46  1  0.0164  0.1801  0.5889  1
  O  O47  1  0.0187  0.7991  0.8020  1
  O  O48  1  0.0246  0.1893  0.3028  1
  O  O49  1  0.1169  0.5312  0.1387  1
  O  O50  1  0.1192  0.3577  0.6378  1
  O  O51  1  0.1425  0.5483  0.0305  1
  O  O52  1  0.1435  0.3131  0.5300  1
  O  O53  1  0.1477  0.3465  0.9189  1
  O  O54  1  0.1504  0.5060  0.4229  1
  O  O55  1  0.1543  0.3166  0.2440  1
  O  O56  1  0.1616  0.5199  0.7442  1
  O  O57  1  0.1713  0.0155  0.0875  1
  O  O58  1  0.1775  0.8025  0.5874  1
  O  O59  1  0.1854  0.0286  0.8068  1
  O  O60  1  0.1902  0.7847  0.3079  1
  O  O61  1  0.1994  0.9745  0.4116  1
  O  O62  1  0.2015  0.8241  0.9128  1
  O  O63  1  0.2079  0.9770  0.6946  1
  O  O64  1  0.2158  0.8099  0.1955  1
  O  O65  1  0.3083  0.5540  0.5266  1
  O  O66  1  0.3094  0.5213  0.2457  1
  O  O67  1  0.3133  0.1323  0.0212  1
  O  O68  1  0.3145  0.1624  0.7446  1
  O  O69  1  0.3509  0.1361  0.4233  1
  O  O70  1  0.3513  0.5211  0.6342  1
  O  O71  1  0.3527  0.5111  0.9238  1
  O  O72  1  0.3609  0.1300  0.1329  1
  O  O73  1  0.4536  0.8525  0.4695  1
  O  O74  1  0.4581  0.6913  0.9691  1
  O  O75  1  0.4745  0.6425  0.8617  1
  O  O76  1  0.4766  0.8867  0.3627  1
  O  O77  1  0.4821  0.8410  0.7564  1
  O  O78  1  0.4866  0.6682  0.2559  1
  O  O79  1  0.4909  0.6452  0.5789  1
  O  O80  1  0.5028  0.8558  0.0772  1
  O  O81  1  0.5063  0.3475  0.4203  1
  O  O82  1  0.5125  0.1378  0.9220  1
  O  O83  1  0.5244  0.1262  0.6383  1
  O  O84  1  0.5258  0.3557  0.1387  1
  O  O85  1  0.5261  0.1647  0.2438  1
  O  O86  1  0.5337  0.3065  0.7446  1
  O  O87  1  0.5373  0.3120  0.0310  1
  O  O88  1  0.5488  0.1376  0.5245  1
  O  O89  1  0.6380  0.4773  0.3573  1
  O  O90  1  0.6399  0.8853  0.8628  1
  O  O91  1  0.6464  0.4875  0.0784  1
  O  O92  1  0.6543  0.8516  0.5793  1
  O  O93  1  0.6829  0.4681  0.4691  1
  O  O94  1  0.6847  0.4681  0.7557  1
  O  O95  1  0.6864  0.8587  0.9708  1
  O  O96  1  0.6912  0.8341  0.2546  1
  O  O97  1  0.7880  0.1845  0.8024  1
  O  O98  1  0.7924  0.0272  0.3032  1
  O  O99  1  0.7982  0.1749  0.0874  1
  O  O100  1  0.8114  0.2166  0.6955  1
  O  O101  1  0.8145  0.9752  0.1910  1
  O  O102  1  0.8183  0.0112  0.5867  1
  O  O103  1  0.8252  0.9782  0.9125  1
  O  O104  1  0.8293  0.1884  0.4119  1
  O  O105  1  0.8383  0.6809  0.7544  1
  O  O106  1  0.8466  0.4684  0.2538  1
  O  O107  1  0.8488  0.4669  0.9678  1
  O  O108  1  0.8496  0.6923  0.4708  1
  O  O109  1  0.8618  0.6471  0.0788  1
  O  O110  1  0.8673  0.4930  0.5792  1
  O  O111  1  0.8836  0.4681  0.8551  1
  O  O112  1  0.8836  0.6426  0.3579  1
  O  O113  1  0.9672  0.8090  0.6903  1
  O  O114  1  0.9735  0.2145  0.1954  1
  O  O115  1  0.9818  0.8290  0.4123  1
  O  O116  1  0.9860  0.1852  0.9123  1
]