data_[Na21Hf6Mg6Si3P15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  Mg  1.3100  1.5000  0.8600
  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 [9.0554]
_cell_length_b [9.0601]
_cell_length_c [22.2273]
_cell_angle_alpha [89.9039]
_cell_angle_beta [89.9981]
_cell_angle_gamma [60.0438]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na7Hf2Mg2SiP5O24]
_chemical_formula_sum '[Na21 Hf6 Mg6 Si3 P15 O72]'
_cell_volume [1579.9673]
_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  0.0059  0.0067  0.5065  1
  Na  Na1  1  0.0364  0.6558  0.4203  1
  Na  Na2  1  0.0408  0.3071  0.9254  1
  Na  Na3  1  0.3074  0.6558  0.9188  1
  Na  Na4  1  0.3114  0.9832  0.0853  1
  Na  Na5  1  0.3223  0.7028  0.5923  1
  Na  Na6  1  0.3344  0.3292  0.3408  1
  Na  Na7  1  0.3497  0.3208  0.8413  1
  Na  Na8  1  0.3705  0.9810  0.7523  1
  Na  Na9  1  0.6392  0.3767  0.7535  1
  Na  Na10  1  0.6434  0.9877  0.2554  1
  Na  Na11  1  0.6511  0.3089  0.4243  1
  Na  Na12  1  0.6531  0.6622  0.1755  1
  Na  Na13  1  0.6599  0.6642  0.6734  1
  Na  Na14  1  0.7056  0.9833  0.5840  1
  Na  Na15  1  0.7086  0.3173  0.0880  1
  Na  Na16  1  0.9733  0.3185  0.5874  1
  Na  Na17  1  0.9760  0.6984  0.0893  1
  Na  Na18  1  0.9863  0.0083  0.0064  1
  Na  Na19  1  0.9891  0.3711  0.2526  1
  Na  Na20  1  0.9927  0.6411  0.7563  1
  Hf  Hf21  1  0.0073  0.9991  0.3516  1
  Hf  Hf22  1  0.3297  0.3395  0.1856  1
  Hf  Hf23  1  0.3358  0.3368  0.6844  1
  Hf  Hf24  1  0.6609  0.6687  0.5171  1
  Hf  Hf25  1  0.6682  0.6685  0.0179  1
  Hf  Hf26  1  0.9972  0.9976  0.8521  1
  Mg  Mg27  1  0.0007  0.0004  0.6497  1
  Mg  Mg28  1  0.0032  0.0007  0.1501  1
  Mg  Mg29  1  0.3380  0.3260  0.4820  1
  Mg  Mg30  1  0.3381  0.3257  0.9826  1
  Mg  Mg31  1  0.6597  0.6671  0.3162  1
  Mg  Mg32  1  0.6632  0.6683  0.8167  1
  Si  Si33  1  0.0358  0.3321  0.0805  1
  Si  Si34  1  0.2978  0.7031  0.7477  1
  Si  Si35  1  0.6343  0.3310  0.5797  1
  P  P36  1  0.0005  0.2950  0.7487  1
  P  P37  1  0.0382  0.6281  0.5797  1
  P  P38  1  0.2997  0.9973  0.2460  1
  P  P39  1  0.3316  0.6282  0.0790  1
  P  P40  1  0.3328  0.0417  0.5823  1
  P  P41  1  0.3702  0.9656  0.9135  1
  P  P42  1  0.3712  0.6646  0.4155  1
  P  P43  1  0.6256  0.0416  0.0836  1
  P  P44  1  0.6650  0.3709  0.9150  1
  P  P45  1  0.6662  0.9634  0.4125  1
  P  P46  1  0.7049  0.2963  0.2488  1
  P  P47  1  0.7052  0.9983  0.7465  1
  P  P48  1  0.9630  0.6666  0.9142  1
  P  P49  1  0.9632  0.3730  0.4137  1
  P  P50  1  0.9998  0.7052  0.2484  1
  O  O51  1  0.0067  0.1694  0.0876  1
  O  O52  1  0.0162  0.8061  0.5867  1
  O  O53  1  0.0172  0.7969  0.3057  1
  O  O54  1  0.0226  0.1818  0.8055  1
  O  O55  1  0.1223  0.5124  0.6369  1
  O  O56  1  0.1298  0.3636  0.1402  1
  O  O57  1  0.1386  0.3544  0.4218  1
  O  O58  1  0.1431  0.5117  0.9187  1
  O  O59  1  0.1438  0.5416  0.5241  1
  O  O60  1  0.1496  0.3071  0.0220  1
  O  O61  1  0.1642  0.5231  0.2473  1
  O  O62  1  0.1698  0.3013  0.7459  1
  O  O63  1  0.1734  0.7983  0.8073  1
  O  O64  1  0.1746  0.8044  0.0883  1
  O  O65  1  0.1783  0.0228  0.3001  1
  O  O66  1  0.1820  0.0099  0.5875  1
  O  O67  1  0.1882  0.9783  0.9129  1
  O  O68  1  0.1890  0.8286  0.4112  1
  O  O69  1  0.2089  0.8153  0.6888  1
  O  O70  1  0.2187  0.9833  0.1877  1
  O  O71  1  0.3048  0.1589  0.5298  1
  O  O72  1  0.3077  0.5137  0.7470  1
  O  O73  1  0.3083  0.1685  0.2463  1
  O  O74  1  0.3105  0.5481  0.0220  1
  O  O75  1  0.3418  0.1461  0.9184  1
  O  O76  1  0.3434  0.5111  0.4201  1
  O  O77  1  0.3601  0.1191  0.6416  1
  O  O78  1  0.3663  0.5052  0.1339  1
  O  O79  1  0.4509  0.6885  0.4753  1
  O  O80  1  0.4583  0.8530  0.9704  1
  O  O81  1  0.4683  0.8757  0.8567  1
  O  O82  1  0.4810  0.8484  0.2543  1
  O  O83  1  0.4874  0.6417  0.3633  1
  O  O84  1  0.4891  0.6743  0.7545  1
  O  O85  1  0.4945  0.6482  0.0770  1
  O  O86  1  0.5026  0.8643  0.5770  1
  O  O87  1  0.5069  0.3534  0.9220  1
  O  O88  1  0.5101  0.3621  0.6397  1
  O  O89  1  0.5147  0.1445  0.4171  1
  O  O90  1  0.5171  0.1222  0.1422  1
  O  O91  1  0.5234  0.1612  0.7450  1
  O  O92  1  0.5282  0.3039  0.2467  1
  O  O93  1  0.5419  0.1597  0.0307  1
  O  O94  1  0.5459  0.3054  0.5214  1
  O  O95  1  0.6310  0.8659  0.0775  1
  O  O96  1  0.6469  0.5091  0.5788  1
  O  O97  1  0.6474  0.4753  0.8587  1
  O  O98  1  0.6582  0.8722  0.3563  1
  O  O99  1  0.6859  0.8413  0.7556  1
  O  O100  1  0.6878  0.4719  0.2556  1
  O  O101  1  0.6891  0.4641  0.9712  1
  O  O102  1  0.6903  0.8512  0.4698  1
  O  O103  1  0.7951  0.0311  0.8012  1
  O  O104  1  0.7972  0.1792  0.3050  1
  O  O105  1  0.8060  0.9779  0.6892  1
  O  O106  1  0.8099  0.0050  0.0907  1
  O  O107  1  0.8101  0.2098  0.1925  1
  O  O108  1  0.8252  0.1683  0.5874  1
  O  O109  1  0.8346  0.1947  0.9136  1
  O  O110  1  0.8364  0.9751  0.4118  1
  O  O111  1  0.8437  0.4636  0.4698  1
  O  O112  1  0.8441  0.6804  0.2532  1
  O  O113  1  0.8446  0.5103  0.0792  1
  O  O114  1  0.8497  0.4770  0.7560  1
  O  O115  1  0.8553  0.6833  0.9720  1
  O  O116  1  0.8560  0.6462  0.5766  1
  O  O117  1  0.8742  0.6502  0.8587  1
  O  O118  1  0.8778  0.4784  0.3575  1
  O  O119  1  0.9713  0.1951  0.4113  1
  O  O120  1  0.9725  0.2150  0.6927  1
  O  O121  1  0.9789  0.8320  0.9137  1
  O  O122  1  0.9826  0.8095  0.1924  1
]