data_[Na24Sc6In6Si6P12O72]
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
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.1822]
_cell_length_b [9.1842]
_cell_length_c [22.5767]
_cell_angle_alpha [89.9373]
_cell_angle_beta [89.9381]
_cell_angle_gamma [60.0290]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na4ScInSi(PO6)2]
_chemical_formula_sum '[Na24 Sc6 In6 Si6 P12 O72]'
_cell_volume [1649.3334]
_cell_formula_units_Z [6]
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  0.0023  0.3623  0.7473  1
  Na  Na1  1  0.0049  0.6341  0.2487  1
  Na  Na2  1  0.0250  0.3017  0.0821  1
  Na  Na3  1  0.0266  0.6718  0.5821  1
  Na  Na4  1  0.3042  0.0332  0.5871  1
  Na  Na5  1  0.3057  0.6620  0.0881  1
  Na  Na6  1  0.3373  0.3237  0.6663  1
  Na  Na7  1  0.3376  0.3391  0.1665  1
  Na  Na8  1  0.3378  0.6951  0.4126  1
  Na  Na9  1  0.3382  0.9663  0.9118  1
  Na  Na10  1  0.3646  0.9969  0.2523  1
  Na  Na11  1  0.3657  0.6403  0.7509  1
  Na  Na12  1  0.6270  0.9994  0.7500  1
  Na  Na13  1  0.6279  0.3736  0.2490  1
  Na  Na14  1  0.6606  0.6764  0.8335  1
  Na  Na15  1  0.6609  0.6625  0.3337  1
  Na  Na16  1  0.6654  0.2946  0.5803  1
  Na  Na17  1  0.6663  0.0397  0.0808  1
  Na  Na18  1  0.6987  0.9743  0.4204  1
  Na  Na19  1  0.7008  0.3278  0.9211  1
  Na  Na20  1  0.9624  0.7043  0.9164  1
  Na  Na21  1  0.9627  0.3323  0.4163  1
  Na  Na22  1  0.9893  0.0051  0.4997  1
  Na  Na23  1  0.9897  0.0063  0.9999  1
  Sc  Sc24  1  0.0012  0.9988  0.3498  1
  Sc  Sc25  1  0.3386  0.3387  0.3163  1
  Sc  Sc26  1  0.6611  0.6766  0.6829  1
  Sc  Sc27  1  0.6667  0.6686  0.4828  1
  Sc  Sc28  1  0.9998  0.0013  0.6493  1
  Sc  Sc29  1  0.9998  0.9992  0.1505  1
  In  In30  1  0.3374  0.3253  0.8168  1
  In  In31  1  0.3399  0.3292  0.5154  1
  In  In32  1  0.3407  0.3301  0.0153  1
  In  In33  1  0.6626  0.6654  0.1829  1
  In  In34  1  0.6660  0.6663  0.9850  1
  In  In35  1  0.9995  0.0002  0.8479  1
  Si  Si36  1  0.2958  0.7039  0.2503  1
  Si  Si37  1  0.2972  0.9993  0.7492  1
  Si  Si38  1  0.6349  0.3333  0.4165  1
  Si  Si39  1  0.6366  0.0297  0.9164  1
  Si  Si40  1  0.6672  0.3652  0.0837  1
  Si  Si41  1  0.6673  0.9638  0.5828  1
  P  P42  1  0.0007  0.7015  0.7493  1
  P  P43  1  0.0025  0.2946  0.2503  1
  P  P44  1  0.0354  0.3349  0.9168  1
  P  P45  1  0.0373  0.6287  0.4166  1
  P  P46  1  0.3316  0.0377  0.4161  1
  P  P47  1  0.3316  0.6312  0.9160  1
  P  P48  1  0.3656  0.9671  0.0839  1
  P  P49  1  0.3707  0.6676  0.5834  1
  P  P50  1  0.7035  0.2992  0.7490  1
  P  P51  1  0.7048  0.9991  0.2501  1
  P  P52  1  0.9603  0.3731  0.5832  1
  P  P53  1  0.9652  0.6669  0.0840  1
  O  O54  1  0.0184  0.8062  0.4110  1
  O  O55  1  0.0214  0.1732  0.9134  1
  O  O56  1  0.0239  0.1880  0.1944  1
  O  O57  1  0.0243  0.7915  0.6952  1
  O  O58  1  0.1135  0.3663  0.8608  1
  O  O59  1  0.1239  0.5144  0.3625  1
  O  O60  1  0.1368  0.3586  0.5792  1
  O  O61  1  0.1401  0.5051  0.0791  1
  O  O62  1  0.1422  0.3090  0.9730  1
  O  O63  1  0.1435  0.5537  0.4736  1
  O  O64  1  0.1643  0.3072  0.2553  1
  O  O65  1  0.1649  0.5277  0.7533  1
  O  O66  1  0.1739  0.8089  0.9130  1
  O  O67  1  0.1751  0.0154  0.4104  1
  O  O68  1  0.1763  0.0263  0.6922  1
  O  O69  1  0.1805  0.7924  0.1915  1
  O  O70  1  0.1911  0.9802  0.0900  1
  O  O71  1  0.1948  0.8290  0.5880  1
  O  O72  1  0.2054  0.8202  0.3085  1
  O  O73  1  0.2213  0.9637  0.8099  1
  O  O74  1  0.2947  0.1462  0.4728  1
  O  O75  1  0.3000  0.5539  0.9721  1
  O  O76  1  0.3103  0.1723  0.7503  1
  O  O77  1  0.3127  0.5159  0.2537  1
  O  O78  1  0.3412  0.1467  0.0793  1
  O  O79  1  0.3472  0.5112  0.5802  1
  O  O80  1  0.3581  0.1247  0.3619  1
  O  O81  1  0.3583  0.5237  0.8599  1
  O  O82  1  0.4431  0.8586  0.0278  1
  O  O83  1  0.4557  0.6909  0.5277  1
  O  O84  1  0.4800  0.8911  0.1389  1
  O  O85  1  0.4816  0.6394  0.6386  1
  O  O86  1  0.4829  0.6889  0.2493  1
  O  O87  1  0.4856  0.8302  0.7452  1
  O  O88  1  0.4935  0.8621  0.4213  1
  O  O89  1  0.4938  0.6448  0.9198  1
  O  O90  1  0.4943  0.1498  0.5822  1
  O  O91  1  0.4948  0.3512  0.0814  1
  O  O92  1  0.5116  0.3639  0.3596  1
  O  O93  1  0.5209  0.1083  0.8572  1
  O  O94  1  0.5245  0.3196  0.7521  1
  O  O95  1  0.5258  0.1555  0.2552  1
  O  O96  1  0.5584  0.1451  0.9756  1
  O  O97  1  0.5600  0.2931  0.4764  1
  O  O98  1  0.6310  0.4827  0.1424  1
  O  O99  1  0.6412  0.8726  0.6411  1
  O  O100  1  0.6498  0.5045  0.4209  1
  O  O101  1  0.6533  0.8423  0.9206  1
  O  O102  1  0.6881  0.4743  0.7429  1
  O  O103  1  0.6922  0.8365  0.2460  1
  O  O104  1  0.6951  0.8476  0.5241  1
  O  O105  1  0.7053  0.4442  0.0243  1
  O  O106  1  0.7860  0.0277  0.1945  1
  O  O107  1  0.7908  0.1825  0.6955  1
  O  O108  1  0.8063  0.2254  0.8067  1
  O  O109  1  0.8141  0.9748  0.3054  1
  O  O110  1  0.8226  0.1653  0.4107  1
  O  O111  1  0.8237  0.0131  0.9126  1
  O  O112  1  0.8359  0.1777  0.0886  1
  O  O113  1  0.8361  0.9830  0.5873  1
  O  O114  1  0.8458  0.4745  0.2473  1
  O  O115  1  0.8464  0.6758  0.7433  1
  O  O116  1  0.8511  0.4563  0.5275  1
  O  O117  1  0.8553  0.7005  0.0281  1
  O  O118  1  0.8577  0.4932  0.9200  1
  O  O119  1  0.8606  0.6453  0.4210  1
  O  O120  1  0.8763  0.4805  0.6388  1
  O  O121  1  0.8849  0.6378  0.1399  1
  O  O122  1  0.9649  0.8080  0.8063  1
  O  O123  1  0.9739  0.2108  0.3053  1
  O  O124  1  0.9797  0.1948  0.5875  1
  O  O125  1  0.9845  0.8250  0.0892  1
]