data_[Na15La9Sn3P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  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 [9.4587]
_cell_length_b [9.4702]
_cell_length_c [23.4668]
_cell_angle_alpha [89.9332]
_cell_angle_beta [89.7437]
_cell_angle_gamma [60.0583]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na5La3Sn(PO4)6]
_chemical_formula_sum '[Na15 La9 Sn3 P18 O72]'
_cell_volume [1821.4753]
_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  0.0340  0.3018  0.4262  1
  Na  Na1  1  0.2996  0.6649  0.4257  1
  Na  Na2  1  0.3032  0.0353  0.9263  1
  Na  Na3  1  0.3167  0.3472  0.8280  1
  Na  Na4  1  0.3282  0.3371  0.3279  1
  Na  Na5  1  0.3399  0.0032  0.2443  1
  Na  Na6  1  0.3660  0.6393  0.7411  1
  Na  Na7  1  0.6365  0.0013  0.7389  1
  Na  Na8  1  0.6428  0.3588  0.2440  1
  Na  Na9  1  0.6646  0.2977  0.9270  1
  Na  Na10  1  0.6675  0.6649  0.6524  1
  Na  Na11  1  0.6790  0.6669  0.1600  1
  Na  Na12  1  0.9831  0.9983  0.5031  1
  Na  Na13  1  0.9981  0.9808  0.0032  1
  Na  Na14  1  0.9985  0.3586  0.7410  1
  La  La15  1  0.0015  0.9964  0.1452  1
  La  La16  1  0.0033  0.0024  0.6439  1
  La  La17  1  0.3229  0.3444  0.9897  1
  La  La18  1  0.3363  0.3302  0.6686  1
  La  La19  1  0.3487  0.3193  0.4862  1
  La  La20  1  0.6757  0.6664  0.8216  1
  La  La21  1  0.6765  0.6756  0.3135  1
  La  La22  1  0.9895  0.9936  0.3476  1
  La  La23  1  0.9995  0.9879  0.8542  1
  Sn  Sn24  1  0.3252  0.3419  0.1757  1
  Sn  Sn25  1  0.6673  0.6714  0.5153  1
  Sn  Sn26  1  0.6703  0.6670  0.0223  1
  P  P27  1  0.0033  0.3501  0.5776  1
  P  P28  1  0.0100  0.6866  0.7480  1
  P  P29  1  0.0154  0.6263  0.0836  1
  P  P30  1  0.0191  0.2984  0.2485  1
  P  P31  1  0.3028  0.0076  0.7547  1
  P  P32  1  0.3045  0.6789  0.2494  1
  P  P33  1  0.3490  0.6472  0.5774  1
  P  P34  1  0.3576  0.0191  0.0824  1
  P  P35  1  0.3639  0.9565  0.4165  1
  P  P36  1  0.3767  0.6742  0.9220  1
  P  P37  1  0.6254  0.3567  0.0817  1
  P  P38  1  0.6512  0.9988  0.5842  1
  P  P39  1  0.6694  0.0277  0.2427  1
  P  P40  1  0.6698  0.9614  0.9235  1
  P  P41  1  0.6760  0.3772  0.4159  1
  P  P42  1  0.6894  0.3021  0.7543  1
  P  P43  1  0.9577  0.3632  0.9219  1
  P  P44  1  0.9637  0.6699  0.4223  1
  O  O45  1  0.0242  0.7660  0.8040  1
  O  O46  1  0.0508  0.2022  0.3055  1
  O  O47  1  0.0858  0.3581  0.6343  1
  O  O48  1  0.1030  0.5575  0.0272  1
  O  O49  1  0.1109  0.3367  0.5259  1
  O  O50  1  0.1144  0.5125  0.1350  1
  O  O51  1  0.1346  0.5131  0.4238  1
  O  O52  1  0.1358  0.3272  0.9249  1
  O  O53  1  0.1666  0.5153  0.7440  1
  O  O54  1  0.1816  0.3040  0.2376  1
  O  O55  1  0.1977  0.9587  0.4190  1
  O  O56  1  0.2018  0.8208  0.5785  1
  O  O57  1  0.2056  0.9881  0.7060  1
  O  O58  1  0.2077  0.8316  0.9276  1
  O  O59  1  0.2130  0.9905  0.0894  1
  O  O60  1  0.2134  0.8056  0.2028  1
  O  O61  1  0.2151  0.0205  0.8124  1
  O  O62  1  0.2156  0.7418  0.3075  1
  O  O63  1  0.3123  0.1666  0.7472  1
  O  O64  1  0.3173  0.5088  0.2377  1
  O  O65  1  0.3278  0.1347  0.4214  1
  O  O66  1  0.3355  0.5544  0.5256  1
  O  O67  1  0.3405  0.1073  0.0258  1
  O  O68  1  0.3617  0.5537  0.6339  1
  O  O69  1  0.3672  0.1210  0.1346  1
  O  O70  1  0.3681  0.5161  0.9253  1
  O  O71  1  0.4480  0.8871  0.3587  1
  O  O72  1  0.4511  0.6721  0.8630  1
  O  O73  1  0.4707  0.8449  0.4665  1
  O  O74  1  0.4793  0.8581  0.7527  1
  O  O75  1  0.4826  0.6483  0.2510  1
  O  O76  1  0.4859  0.6837  0.9702  1
  O  O77  1  0.5011  0.1927  0.2368  1
  O  O78  1  0.5093  0.3727  0.1336  1
  O  O79  1  0.5102  0.1295  0.9252  1
  O  O80  1  0.5104  0.6548  0.5736  1
  O  O81  1  0.5181  0.3174  0.7471  1
  O  O82  1  0.5184  0.3671  0.4215  1
  O  O83  1  0.5212  0.8503  0.0825  1
  O  O84  1  0.5459  0.1182  0.5374  1
  O  O85  1  0.5566  0.3371  0.0250  1
  O  O86  1  0.5694  0.0692  0.6431  1
  O  O87  1  0.6294  0.8882  0.2469  1
  O  O88  1  0.6315  0.5200  0.0814  1
  O  O89  1  0.6532  0.8341  0.5770  1
  O  O90  1  0.6666  0.4770  0.7526  1
  O  O91  1  0.6670  0.4599  0.3583  1
  O  O92  1  0.6714  0.8873  0.8646  1
  O  O93  1  0.6767  0.8473  0.9728  1
  O  O94  1  0.6930  0.4781  0.4656  1
  O  O95  1  0.7444  0.0530  0.2980  1
  O  O96  1  0.7624  0.2134  0.8118  1
  O  O97  1  0.7807  0.0026  0.1924  1
  O  O98  1  0.7970  0.2120  0.0899  1
  O  O99  1  0.8056  0.2034  0.7055  1
  O  O100  1  0.8163  0.9911  0.9288  1
  O  O101  1  0.8245  0.9725  0.5809  1
  O  O102  1  0.8331  0.2069  0.4181  1
  O  O103  1  0.8348  0.5108  0.5746  1
  O  O104  1  0.8440  0.4767  0.9706  1
  O  O105  1  0.8473  0.6306  0.0832  1
  O  O106  1  0.8563  0.6829  0.4745  1
  O  O107  1  0.8586  0.6624  0.7485  1
  O  O108  1  0.8676  0.4703  0.2499  1
  O  O109  1  0.8828  0.6614  0.3668  1
  O  O110  1  0.8903  0.4397  0.8629  1
  O  O111  1  0.9589  0.1982  0.9269  1
  O  O112  1  0.9758  0.2030  0.5778  1
  O  O113  1  0.9879  0.7982  0.0904  1
  O  O114  1  0.9902  0.8191  0.4225  1
  O  O115  1  0.9941  0.2011  0.2014  1
  O  O116  1  0.9948  0.7953  0.6975  1
]