data_[Na21Y9Zn3P18O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.3203]
_cell_length_b [9.3301]
_cell_length_c [22.9055]
_cell_angle_alpha [89.6697]
_cell_angle_beta [89.7385]
_cell_angle_gamma [60.0590]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na7Y3Zn(PO4)6]
_chemical_formula_sum '[Na21 Y9 Zn3 P18 O72]'
_cell_volume [1725.9875]
_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  0.0144  0.9991  0.4921  1
  Na  Na1  1  0.0260  0.6702  0.5873  1
  Na  Na2  1  0.3080  0.6660  0.0876  1
  Na  Na3  1  0.3136  0.3339  0.1641  1
  Na  Na4  1  0.3151  0.7121  0.4078  1
  Na  Na5  1  0.3340  0.3147  0.6633  1
  Na  Na6  1  0.3352  0.9683  0.9183  1
  Na  Na7  1  0.3812  0.9814  0.2440  1
  Na  Na8  1  0.3848  0.6368  0.7404  1
  Na  Na9  1  0.6355  0.3797  0.2421  1
  Na  Na10  1  0.6403  0.9818  0.7400  1
  Na  Na11  1  0.6661  0.3050  0.5865  1
  Na  Na12  1  0.6662  0.6669  0.3215  1
  Na  Na13  1  0.6678  0.0262  0.0880  1
  Na  Na14  1  0.6816  0.6657  0.8279  1
  Na  Na15  1  0.6931  0.3337  0.9202  1
  Na  Na16  1  0.7187  0.9702  0.4065  1
  Na  Na17  1  0.9689  0.3173  0.4069  1
  Na  Na18  1  0.9789  0.3791  0.7430  1
  Na  Na19  1  0.9820  0.6403  0.2416  1
  Na  Na20  1  0.9999  0.9990  0.0009  1
  Y  Y21  1  0.0003  0.0109  0.1515  1
  Y  Y22  1  0.0010  0.9897  0.8493  1
  Y  Y23  1  0.0094  0.9998  0.6489  1
  Y  Y24  1  0.3183  0.3392  0.0181  1
  Y  Y25  1  0.3268  0.3408  0.8173  1
  Y  Y26  1  0.3326  0.3249  0.5176  1
  Y  Y27  1  0.3345  0.3337  0.3182  1
  Y  Y28  1  0.6601  0.6739  0.4846  1
  Y  Y29  1  0.6830  0.6602  0.9844  1
  Zn  Zn30  1  0.0011  0.9999  0.3423  1
  Zn  Zn31  1  0.6594  0.6732  0.6759  1
  Zn  Zn32  1  0.6740  0.6575  0.1765  1
  P  P33  1  0.0274  0.3271  0.9122  1
  P  P34  1  0.0302  0.6420  0.4174  1
  P  P35  1  0.3036  0.7020  0.2516  1
  P  P36  1  0.3119  0.9949  0.7526  1
  P  P37  1  0.3267  0.0288  0.4125  1
  P  P38  1  0.3371  0.6392  0.9181  1
  P  P39  1  0.3672  0.6590  0.5857  1
  P  P40  1  0.3771  0.9584  0.0860  1
  P  P41  1  0.6316  0.0358  0.9178  1
  P  P42  1  0.6429  0.3287  0.4172  1
  P  P43  1  0.6598  0.3675  0.0856  1
  P  P44  1  0.6677  0.9692  0.5869  1
  P  P45  1  0.6962  0.3077  0.7490  1
  P  P46  1  0.7013  0.9962  0.2528  1
  P  P47  1  0.9605  0.3758  0.5863  1
  P  P48  1  0.9683  0.6697  0.0914  1
  P  P49  1  0.9941  0.3071  0.2557  1
  P  P50  1  0.9946  0.6940  0.7449  1
  O  O51  1  0.0147  0.1667  0.9153  1
  O  O52  1  0.0166  0.7730  0.6886  1
  O  O53  1  0.0175  0.8139  0.4130  1
  O  O54  1  0.0192  0.1920  0.2038  1
  O  O55  1  0.1032  0.3399  0.8535  1
  O  O56  1  0.1164  0.5330  0.3634  1
  O  O57  1  0.1341  0.5532  0.4724  1
  O  O58  1  0.1347  0.3604  0.5838  1
  O  O59  1  0.1402  0.3156  0.9634  1
  O  O60  1  0.1472  0.5195  0.0870  1
  O  O61  1  0.1475  0.3323  0.2552  1
  O  O62  1  0.1511  0.5195  0.7501  1
  O  O63  1  0.1698  0.0115  0.4113  1
  O  O64  1  0.1863  0.8176  0.9174  1
  O  O65  1  0.1879  0.8081  0.5863  1
  O  O66  1  0.1934  0.0193  0.7018  1
  O  O67  1  0.1987  0.7873  0.1965  1
  O  O68  1  0.2045  0.9717  0.0881  1
  O  O69  1  0.2169  0.8050  0.3067  1
  O  O70  1  0.2316  0.9784  0.8101  1
  O  O71  1  0.3084  0.1430  0.4643  1
  O  O72  1  0.3234  0.5255  0.2536  1
  O  O73  1  0.3259  0.5488  0.9732  1
  O  O74  1  0.3356  0.1489  0.7527  1
  O  O75  1  0.3455  0.5414  0.8624  1
  O  O76  1  0.3506  0.1054  0.3557  1
  O  O77  1  0.3554  0.4975  0.5848  1
  O  O78  1  0.3603  0.1333  0.0837  1
  O  O79  1  0.4522  0.6697  0.5291  1
  O  O80  1  0.4629  0.8601  0.0299  1
  O  O81  1  0.4676  0.6485  0.6408  1
  O  O82  1  0.4787  0.6829  0.2476  1
  O  O83  1  0.4820  0.8547  0.4184  1
  O  O84  1  0.4821  0.8693  0.1407  1
  O  O85  1  0.4837  0.8365  0.7462  1
  O  O86  1  0.4975  0.3566  0.0851  1
  O  O87  1  0.4979  0.6507  0.9189  1
  O  O88  1  0.5174  0.1486  0.5848  1
  O  O89  1  0.5192  0.3294  0.7521  1
  O  O90  1  0.5248  0.1534  0.2537  1
  O  O91  1  0.5290  0.1251  0.8627  1
  O  O92  1  0.5361  0.3501  0.3625  1
  O  O93  1  0.5400  0.1408  0.9722  1
  O  O94  1  0.5517  0.3137  0.4718  1
  O  O95  1  0.6463  0.8635  0.9201  1
  O  O96  1  0.6503  0.4681  0.1406  1
  O  O97  1  0.6564  0.8828  0.6430  1
  O  O98  1  0.6634  0.4838  0.4197  1
  O  O99  1  0.6720  0.4516  0.0289  1
  O  O100  1  0.6775  0.8706  0.5316  1
  O  O101  1  0.6806  0.4807  0.7457  1
  O  O102  1  0.6821  0.8407  0.2501  1
  O  O103  1  0.7816  0.2000  0.6945  1
  O  O104  1  0.7871  0.0153  0.1975  1
  O  O105  1  0.8011  0.2178  0.8039  1
  O  O106  1  0.8036  0.0242  0.9159  1
  O  O107  1  0.8043  0.9813  0.3079  1
  O  O108  1  0.8078  0.1874  0.0869  1
  O  O109  1  0.8152  0.1699  0.4141  1
  O  O110  1  0.8272  0.9841  0.5865  1
  O  O111  1  0.8348  0.4786  0.2491  1
  O  O112  1  0.8380  0.6764  0.7445  1
  O  O113  1  0.8501  0.4766  0.9170  1
  O  O114  1  0.8533  0.6651  0.4200  1
  O  O115  1  0.8614  0.4630  0.5306  1
  O  O116  1  0.8616  0.6813  0.0385  1
  O  O117  1  0.8719  0.4785  0.6411  1
  O  O118  1  0.8872  0.6572  0.1488  1
  O  O119  1  0.9751  0.2028  0.5878  1
  O  O120  1  0.9783  0.8064  0.7971  1
  O  O121  1  0.9787  0.2251  0.3126  1
  O  O122  1  0.9827  0.8291  0.0894  1
]