data_[Na21La6Si9Sn6P9O72]
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
  Si  1.9000  1.1000  0.5400
  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 [9.3925]
_cell_length_b [9.4014]
_cell_length_c [23.0466]
_cell_angle_alpha [89.6769]
_cell_angle_beta [89.7645]
_cell_angle_gamma [60.1545]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na7La2Si3Sn2(PO8)3]
_chemical_formula_sum '[Na21 La6 Si9 Sn6 P9 O72]'
_cell_volume [1765.1431]
_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  0.0160  0.9950  0.0055  1
  Na  Na1  1  0.0371  0.3043  0.9218  1
  Na  Na2  1  0.2927  0.6638  0.9244  1
  Na  Na3  1  0.3082  0.0277  0.4211  1
  Na  Na4  1  0.3332  0.3333  0.8331  1
  Na  Na5  1  0.3351  0.3433  0.3393  1
  Na  Na6  1  0.3421  0.6933  0.5808  1
  Na  Na7  1  0.3752  0.0033  0.7426  1
  Na  Na8  1  0.3816  0.6192  0.2504  1
  Na  Na9  1  0.6276  0.3633  0.7447  1
  Na  Na10  1  0.6290  0.0041  0.2552  1
  Na  Na11  1  0.6582  0.6647  0.1623  1
  Na  Na12  1  0.6595  0.3039  0.4174  1
  Na  Na13  1  0.6683  0.0317  0.9206  1
  Na  Na14  1  0.6729  0.6606  0.6603  1
  Na  Na15  1  0.6890  0.3413  0.0876  1
  Na  Na16  1  0.6930  0.9699  0.5802  1
  Na  Na17  1  0.9793  0.6887  0.0816  1
  Na  Na18  1  0.9944  0.3714  0.2467  1
  Na  Na19  1  0.9990  0.9999  0.5000  1
  Na  Na20  1  0.9994  0.6353  0.7450  1
  La  La21  1  0.3256  0.3365  0.9956  1
  La  La22  1  0.3358  0.3330  0.1800  1
  La  La23  1  0.3371  0.3306  0.6690  1
  La  La24  1  0.6674  0.6624  0.3236  1
  La  La25  1  0.6700  0.6702  0.8142  1
  La  La26  1  0.9961  0.9980  0.8511  1
  Si  Si27  1  0.0105  0.3351  0.0829  1
  Si  Si28  1  0.3323  0.6580  0.0838  1
  Si  Si29  1  0.3365  0.0213  0.5813  1
  Si  Si30  1  0.3566  0.6639  0.4181  1
  Si  Si31  1  0.6441  0.3371  0.5805  1
  Si  Si32  1  0.6622  0.9750  0.4182  1
  Si  Si33  1  0.7023  0.0032  0.7446  1
  Si  Si34  1  0.7168  0.2821  0.2523  1
  Si  Si35  1  0.9673  0.6634  0.9196  1
  Sn  Sn36  1  0.0028  0.0044  0.1492  1
  Sn  Sn37  1  0.3335  0.3315  0.4868  1
  Sn  Sn38  1  0.6651  0.6683  0.5120  1
  Sn  Sn39  1  0.6656  0.6687  0.0186  1
  Sn  Sn40  1  0.9961  0.9944  0.3566  1
  Sn  Sn41  1  0.9976  0.0075  0.6435  1
  P  P42  1  0.0006  0.7196  0.2502  1
  P  P43  1  0.0011  0.2940  0.7465  1
  P  P44  1  0.0246  0.6397  0.5816  1
  P  P45  1  0.2790  0.0004  0.2535  1
  P  P46  1  0.2936  0.7050  0.7440  1
  P  P47  1  0.3730  0.9634  0.9192  1
  P  P48  1  0.6559  0.0117  0.0842  1
  P  P49  1  0.6654  0.3710  0.9199  1
  P  P50  1  0.9751  0.3612  0.4183  1
  O  O51  1  0.0131  0.8136  0.5824  1
  O  O52  1  0.0162  0.2110  0.8054  1
  O  O53  1  0.0190  0.8057  0.3046  1
  O  O54  1  0.0753  0.5587  0.6416  1
  O  O55  1  0.0950  0.3733  0.1384  1
  O  O56  1  0.1124  0.3044  0.0234  1
  O  O57  1  0.1494  0.3358  0.4301  1
  O  O58  1  0.1502  0.4999  0.9211  1
  O  O59  1  0.1504  0.3196  0.7418  1
  O  O60  1  0.1551  0.5460  0.2496  1
  O  O61  1  0.1577  0.5381  0.5355  1
  O  O62  1  0.1615  0.8330  0.0935  1
  O  O63  1  0.1755  0.9911  0.5858  1
  O  O64  1  0.1800  0.8420  0.4131  1
  O  O65  1  0.1818  0.0131  0.3103  1
  O  O66  1  0.1927  0.9833  0.1993  1
  O  O67  1  0.1945  0.8153  0.6905  1
  O  O68  1  0.2005  0.9799  0.9241  1
  O  O69  1  0.2082  0.7830  0.8019  1
  O  O70  1  0.2892  0.5846  0.0268  1
  O  O71  1  0.2916  0.1581  0.2511  1
  O  O72  1  0.3050  0.5358  0.7425  1
  O  O73  1  0.3060  0.1508  0.5277  1
  O  O74  1  0.3402  0.4994  0.4306  1
  O  O75  1  0.3628  0.1313  0.9230  1
  O  O76  1  0.3775  0.0808  0.6415  1
  O  O77  1  0.3793  0.5309  0.1393  1
  O  O78  1  0.4525  0.8917  0.8602  1
  O  O79  1  0.4528  0.8460  0.2535  1
  O  O80  1  0.4542  0.7020  0.4702  1
  O  O81  1  0.4649  0.6164  0.3583  1
  O  O82  1  0.4653  0.6890  0.7408  1
  O  O83  1  0.4773  0.8461  0.9697  1
  O  O84  1  0.4945  0.1589  0.4271  1
  O  O85  1  0.4997  0.6707  0.0758  1
  O  O86  1  0.5033  0.8388  0.5713  1
  O  O87  1  0.5170  0.3442  0.9238  1
  O  O88  1  0.5197  0.1676  0.7428  1
  O  O89  1  0.5342  0.2976  0.2530  1
  O  O90  1  0.5410  0.3848  0.6410  1
  O  O91  1  0.5410  0.3001  0.5296  1
  O  O92  1  0.5497  0.0899  0.1388  1
  O  O93  1  0.5860  0.1181  0.0305  1
  O  O94  1  0.6239  0.9100  0.3581  1
  O  O95  1  0.6497  0.4596  0.8624  1
  O  O96  1  0.6603  0.5007  0.5671  1
  O  O97  1  0.6692  0.4743  0.9730  1
  O  O98  1  0.6785  0.8361  0.0780  1
  O  O99  1  0.6901  0.8501  0.4726  1
  O  O100  1  0.6903  0.8351  0.7405  1
  O  O101  1  0.7018  0.4644  0.2503  1
  O  O102  1  0.7769  0.0198  0.8065  1
  O  O103  1  0.8095  0.1766  0.3117  1
  O  O104  1  0.8203  0.1887  0.1935  1
  O  O105  1  0.8207  0.1596  0.5841  1
  O  O106  1  0.8237  0.0039  0.4155  1
  O  O107  1  0.8245  0.9864  0.6890  1
  O  O108  1  0.8263  0.5029  0.0785  1
  O  O109  1  0.8284  0.2049  0.9240  1
  O  O110  1  0.8323  0.9883  0.0919  1
  O  O111  1  0.8378  0.4607  0.7421  1
  O  O112  1  0.8428  0.7066  0.2517  1
  O  O113  1  0.8441  0.4592  0.4648  1
  O  O114  1  0.8461  0.6780  0.9748  1
  O  O115  1  0.8500  0.6664  0.5687  1
  O  O116  1  0.8907  0.6478  0.8582  1
  O  O117  1  0.9207  0.4467  0.3583  1
  O  O118  1  0.9792  0.1782  0.0907  1
  O  O119  1  0.9802  0.8306  0.9247  1
  O  O120  1  0.9895  0.8155  0.1937  1
  O  O121  1  0.9900  0.1861  0.4164  1
  O  O122  1  0.9957  0.1864  0.6957  1
]