data_[Na3Nb9Al3Si3P15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  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 [8.7200]
_cell_length_b [8.7264]
_cell_length_c [22.4799]
_cell_angle_alpha [89.8293]
_cell_angle_beta [89.9028]
_cell_angle_gamma [60.0468]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaNb3AlSiP5O24]
_chemical_formula_sum '[Na3 Nb9 Al3 Si3 P15 O72]'
_cell_volume [1482.1113]
_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  0.0012  0.9991  0.9921  1
  Na  Na1  1  0.6648  0.6673  0.8401  1
  Na  Na2  1  0.6671  0.6665  0.3388  1
  Nb  Nb3  1  0.0037  0.0018  0.6427  1
  Nb  Nb4  1  0.3330  0.3326  0.5253  1
  Nb  Nb5  1  0.3331  0.3319  0.3100  1
  Nb  Nb6  1  0.3332  0.3317  0.8109  1
  Nb  Nb7  1  0.3336  0.3329  0.0198  1
  Nb  Nb8  1  0.6649  0.6688  0.6910  1
  Nb  Nb9  1  0.6684  0.6671  0.1882  1
  Nb  Nb10  1  0.9943  0.0036  0.3610  1
  Nb  Nb11  1  0.9975  0.0045  0.1424  1
  Al  Al12  1  0.0029  0.9978  0.8551  1
  Al  Al13  1  0.6664  0.6673  0.9774  1
  Al  Al14  1  0.6670  0.6675  0.4799  1
  Si  Si15  1  0.2764  0.9988  0.7549  1
  Si  Si16  1  0.7174  0.9986  0.2510  1
  Si  Si17  1  0.9979  0.2842  0.2506  1
  P  P18  1  0.0335  0.3346  0.9165  1
  P  P19  1  0.0371  0.6173  0.4187  1
  P  P20  1  0.2821  0.7191  0.2509  1
  P  P21  1  0.3336  0.6320  0.9163  1
  P  P22  1  0.3464  0.0358  0.4186  1
  P  P23  1  0.3868  0.9447  0.0782  1
  P  P24  1  0.3883  0.6687  0.5800  1
  P  P25  1  0.6158  0.3482  0.4188  1
  P  P26  1  0.6325  0.0345  0.9163  1
  P  P27  1  0.6669  0.3876  0.0784  1
  P  P28  1  0.6710  0.9419  0.5799  1
  P  P29  1  0.7243  0.2771  0.7534  1
  P  P30  1  0.9409  0.3891  0.5800  1
  P  P31  1  0.9466  0.6677  0.0781  1
  P  P32  1  0.9989  0.7241  0.7536  1
  O  O33  1  0.0207  0.1673  0.9101  1
  O  O34  1  0.0250  0.8039  0.6953  1
  O  O35  1  0.0276  0.7986  0.4106  1
  O  O36  1  0.0316  0.1653  0.1908  1
  O  O37  1  0.1270  0.5025  0.3631  1
  O  O38  1  0.1293  0.3634  0.8622  1
  O  O39  1  0.1311  0.3622  0.5729  1
  O  O40  1  0.1322  0.5019  0.0723  1
  O  O41  1  0.1584  0.5285  0.4732  1
  O  O42  1  0.1588  0.3060  0.9713  1
  O  O43  1  0.1625  0.8102  0.9111  1
  O  O44  1  0.1636  0.5381  0.7610  1
  O  O45  1  0.1655  0.0272  0.6922  1
  O  O46  1  0.1679  0.3092  0.2609  1
  O  O47  1  0.1719  0.7999  0.1940  1
  O  O48  1  0.1781  0.0213  0.4095  1
  O  O49  1  0.1908  0.9633  0.8111  1
  O  O50  1  0.1989  0.9667  0.0864  1
  O  O51  1  0.2007  0.8291  0.5904  1
  O  O52  1  0.2019  0.8331  0.3062  1
  O  O53  1  0.3016  0.5359  0.2604  1
  O  O54  1  0.3049  0.1706  0.7616  1
  O  O55  1  0.3080  0.5331  0.9715  1
  O  O56  1  0.3113  0.1578  0.4728  1
  O  O57  1  0.3629  0.5095  0.8623  1
  O  O58  1  0.3636  0.1318  0.0718  1
  O  O59  1  0.3653  0.5035  0.5732  1
  O  O60  1  0.3715  0.1279  0.3629  1
  O  O61  1  0.4684  0.6955  0.2423  1
  O  O62  1  0.4726  0.6980  0.5259  1
  O  O63  1  0.4750  0.8292  0.0250  1
  O  O64  1  0.4777  0.8271  0.7427  1
  O  O65  1  0.4928  0.8651  0.1367  1
  O  O66  1  0.4992  0.6361  0.6376  1
  O  O67  1  0.5011  0.6449  0.9253  1
  O  O68  1  0.5026  0.3727  0.3631  1
  O  O69  1  0.5042  0.1298  0.5729  1
  O  O70  1  0.5044  0.3624  0.0722  1
  O  O71  1  0.5081  0.1302  0.8620  1
  O  O72  1  0.5092  0.8537  0.4258  1
  O  O73  1  0.5270  0.1742  0.2611  1
  O  O74  1  0.5293  0.3126  0.4732  1
  O  O75  1  0.5350  0.3059  0.7609  1
  O  O76  1  0.5367  0.1584  0.9712  1
  O  O77  1  0.6368  0.8632  0.6375  1
  O  O78  1  0.6399  0.5080  0.4263  1
  O  O79  1  0.6414  0.4923  0.1368  1
  O  O80  1  0.6437  0.8551  0.9248  1
  O  O81  1  0.6884  0.8296  0.2426  1
  O  O82  1  0.6969  0.4739  0.0251  1
  O  O83  1  0.6976  0.8295  0.5258  1
  O  O84  1  0.7020  0.4653  0.7432  1
  O  O85  1  0.7994  0.1758  0.4113  1
  O  O86  1  0.8006  0.1706  0.6951  1
  O  O87  1  0.8077  0.0257  0.1912  1
  O  O88  1  0.8119  0.0235  0.9088  1
  O  O89  1  0.8229  0.4779  0.2425  1
  O  O90  1  0.8293  0.4742  0.5257  1
  O  O91  1  0.8295  0.6973  0.0252  1
  O  O92  1  0.8305  0.9676  0.5911  1
  O  O93  1  0.8332  0.1977  0.0863  1
  O  O94  1  0.8369  0.1948  0.8077  1
  O  O95  1  0.8372  0.6946  0.7432  1
  O  O96  1  0.8401  0.9621  0.3093  1
  O  O97  1  0.8534  0.6400  0.4261  1
  O  O98  1  0.8547  0.5035  0.9250  1
  O  O99  1  0.8648  0.6412  0.1369  1
  O  O100  1  0.8654  0.4979  0.6375  1
  O  O101  1  0.9612  0.8385  0.8078  1
  O  O102  1  0.9642  0.2023  0.5899  1
  O  O103  1  0.9679  0.1930  0.3089  1
  O  O104  1  0.9723  0.8303  0.0870  1
]