data_[Na9Al3Sn9P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.6770]
_cell_length_b [8.6894]
_cell_length_c [22.5111]
_cell_angle_alpha [89.9935]
_cell_angle_beta [89.9937]
_cell_angle_gamma [60.0957]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3AlSn3(PO4)6]
_chemical_formula_sum '[Na9 Al3 Sn9 P18 O72]'
_cell_volume [1471.3170]
_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  0.0008  0.9912  0.4986  1
  Na  Na1  1  0.3261  0.3414  0.6655  1
  Na  Na2  1  0.3329  0.3418  0.1653  1
  Na  Na3  1  0.3658  0.9978  0.2473  1
  Na  Na4  1  0.6379  0.9965  0.7482  1
  Na  Na5  1  0.6671  0.6662  0.3292  1
  Na  Na6  1  0.6673  0.6581  0.8329  1
  Na  Na7  1  0.9710  0.3298  0.4145  1
  Na  Na8  1  0.9999  0.0000  0.0017  1
  Al  Al9  1  0.6670  0.6612  0.6848  1
  Al  Al10  1  0.6726  0.6602  0.1856  1
  Al  Al11  1  0.9991  0.9944  0.3497  1
  Sn  Sn12  1  0.0012  0.0004  0.8522  1
  Sn  Sn13  1  0.0013  0.0006  0.6468  1
  Sn  Sn14  1  0.3289  0.3383  0.8155  1
  Sn  Sn15  1  0.3331  0.3336  0.0225  1
  Sn  Sn16  1  0.3343  0.3387  0.3138  1
  Sn  Sn17  1  0.3345  0.3343  0.5206  1
  Sn  Sn18  1  0.6620  0.6715  0.4825  1
  Sn  Sn19  1  0.6668  0.6666  0.9827  1
  Sn  Sn20  1  0.9979  0.0001  0.1477  1
  P  P21  1  0.0396  0.3342  0.9175  1
  P  P22  1  0.0409  0.6348  0.4161  1
  P  P23  1  0.2911  0.7131  0.2507  1
  P  P24  1  0.2987  0.9930  0.7487  1
  P  P25  1  0.3298  0.0381  0.4148  1
  P  P26  1  0.3339  0.6262  0.9174  1
  P  P27  1  0.3803  0.6667  0.5861  1
  P  P28  1  0.3805  0.9521  0.0867  1
  P  P29  1  0.6258  0.0401  0.9166  1
  P  P30  1  0.6324  0.3261  0.4160  1
  P  P31  1  0.6664  0.9536  0.5865  1
  P  P32  1  0.6674  0.3810  0.0862  1
  P  P33  1  0.7079  0.3011  0.7489  1
  P  P34  1  0.7157  0.9924  0.2513  1
  P  P35  1  0.9517  0.6673  0.0861  1
  P  P36  1  0.9528  0.3810  0.5851  1
  P  P37  1  0.9901  0.2950  0.2519  1
  P  P38  1  0.9963  0.7048  0.7482  1
  O  O39  1  0.0227  0.8164  0.4059  1
  O  O40  1  0.0234  0.1657  0.9120  1
  O  O41  1  0.0359  0.7865  0.6938  1
  O  O42  1  0.0410  0.1721  0.1968  1
  O  O43  1  0.1159  0.3688  0.8601  1
  O  O44  1  0.1169  0.5064  0.3623  1
  O  O45  1  0.1384  0.4977  0.0814  1
  O  O46  1  0.1399  0.3631  0.5805  1
  O  O47  1  0.1541  0.5534  0.4727  1
  O  O48  1  0.1556  0.2991  0.9728  1
  O  O49  1  0.1602  0.0255  0.4066  1
  O  O50  1  0.1644  0.5214  0.7545  1
  O  O51  1  0.1652  0.3072  0.2570  1
  O  O52  1  0.1653  0.8103  0.9116  1
  O  O53  1  0.1777  0.0376  0.6942  1
  O  O54  1  0.1784  0.7870  0.1942  1
  O  O55  1  0.1917  0.9758  0.0899  1
  O  O56  1  0.1923  0.8323  0.5895  1
  O  O57  1  0.2024  0.8340  0.3051  1
  O  O58  1  0.2201  0.9596  0.8053  1
  O  O59  1  0.2885  0.1604  0.4703  1
  O  O60  1  0.2988  0.5454  0.9727  1
  O  O61  1  0.3111  0.5260  0.2557  1
  O  O62  1  0.3220  0.1598  0.7550  1
  O  O63  1  0.3632  0.4972  0.5813  1
  O  O64  1  0.3641  0.1385  0.0815  1
  O  O65  1  0.3675  0.1174  0.3587  1
  O  O66  1  0.3697  0.5146  0.8601  1
  O  O67  1  0.4499  0.7008  0.5272  1
  O  O68  1  0.4531  0.8468  0.0283  1
  O  O69  1  0.4757  0.6982  0.2429  1
  O  O70  1  0.4853  0.8311  0.7401  1
  O  O71  1  0.4939  0.8646  0.1422  1
  O  O72  1  0.4964  0.1393  0.5811  1
  O  O73  1  0.4973  0.6415  0.6399  1
  O  O74  1  0.4978  0.3633  0.0814  1
  O  O75  1  0.4983  0.8554  0.4213  1
  O  O76  1  0.5011  0.6445  0.9218  1
  O  O77  1  0.5120  0.3710  0.3614  1
  O  O78  1  0.5182  0.1152  0.8579  1
  O  O79  1  0.5221  0.1580  0.2566  1
  O  O80  1  0.5243  0.3092  0.7553  1
  O  O81  1  0.5426  0.1573  0.9713  1
  O  O82  1  0.5530  0.2928  0.4727  1
  O  O83  1  0.6406  0.4984  0.1401  1
  O  O84  1  0.6413  0.8655  0.6420  1
  O  O85  1  0.6425  0.8557  0.9213  1
  O  O86  1  0.6557  0.4928  0.4222  1
  O  O87  1  0.6889  0.4829  0.7394  1
  O  O88  1  0.6894  0.8298  0.2432  1
  O  O89  1  0.7007  0.8470  0.5284  1
  O  O90  1  0.7009  0.4509  0.0272  1
  O  O91  1  0.7847  0.0365  0.1947  1
  O  O92  1  0.7847  0.1729  0.6951  1
  O  O93  1  0.8107  0.0236  0.9114  1
  O  O94  1  0.8188  0.1639  0.4071  1
  O  O95  1  0.8204  0.2202  0.8055  1
  O  O96  1  0.8270  0.6917  0.7397  1
  O  O97  1  0.8271  0.4783  0.2424  1
  O  O98  1  0.8300  0.9692  0.3060  1
  O  O99  1  0.8322  0.9761  0.5897  1
  O  O100  1  0.8327  0.1932  0.0899  1
  O  O101  1  0.8482  0.7007  0.0271  1
  O  O102  1  0.8517  0.4498  0.5251  1
  O  O103  1  0.8547  0.5013  0.9218  1
  O  O104  1  0.8574  0.6432  0.4225  1
  O  O105  1  0.8597  0.4994  0.6385  1
  O  O106  1  0.8607  0.6412  0.1400  1
  O  O107  1  0.9537  0.8251  0.8041  1
  O  O108  1  0.9684  0.2060  0.3083  1
  O  O109  1  0.9736  0.1938  0.5891  1
  O  O110  1  0.9750  0.8324  0.0895  1
]