data_[Na21Mg3Si9Ge9P9O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.7726]
_cell_length_b [8.7775]
_cell_length_c [21.7147]
_cell_angle_alpha [89.4224]
_cell_angle_beta [89.5685]
_cell_angle_gamma [60.1507]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na7MgSi3Ge3(PO8)3]
_chemical_formula_sum '[Na21 Mg3 Si9 Ge9 P9 O72]'
_cell_volume [1450.1616]
_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  0.0058  0.9930  0.5035  1
  Na  Na1  1  0.0291  0.6668  0.9182  1
  Na  Na2  1  0.0294  0.3062  0.4159  1
  Na  Na3  1  0.3078  0.0275  0.9162  1
  Na  Na4  1  0.3239  0.9665  0.5838  1
  Na  Na5  1  0.3290  0.3426  0.3356  1
  Na  Na6  1  0.3340  0.6985  0.0824  1
  Na  Na7  1  0.3365  0.3323  0.8346  1
  Na  Na8  1  0.3712  0.6346  0.7516  1
  Na  Na9  1  0.3716  0.9955  0.2522  1
  Na  Na10  1  0.6343  0.3738  0.2508  1
  Na  Na11  1  0.6356  0.9939  0.7517  1
  Na  Na12  1  0.6630  0.3063  0.9162  1
  Na  Na13  1  0.6662  0.6668  0.6667  1
  Na  Na14  1  0.6663  0.0289  0.4184  1
  Na  Na15  1  0.6781  0.6608  0.1653  1
  Na  Na16  1  0.7093  0.3251  0.5841  1
  Na  Na17  1  0.9661  0.7098  0.5835  1
  Na  Na18  1  0.9914  0.0049  0.0026  1
  Na  Na19  1  0.9927  0.6293  0.2526  1
  Na  Na20  1  0.9951  0.3685  0.7499  1
  Mg  Mg21  1  0.6638  0.6695  0.8176  1
  Mg  Mg22  1  0.6733  0.6615  0.3155  1
  Mg  Mg23  1  0.9991  0.0002  0.6443  1
  Si  Si24  1  0.0033  0.2832  0.2475  1
  Si  Si25  1  0.0369  0.6249  0.0832  1
  Si  Si26  1  0.0447  0.3361  0.5817  1
  Si  Si27  1  0.3374  0.6205  0.5816  1
  Si  Si28  1  0.3764  0.6658  0.9171  1
  Si  Si29  1  0.6169  0.0464  0.5809  1
  Si  Si30  1  0.6265  0.3310  0.0839  1
  Si  Si31  1  0.6629  0.9604  0.9168  1
  Si  Si32  1  0.9664  0.6650  0.4156  1
  Ge  Ge33  1  0.0004  0.9945  0.8530  1
  Ge  Ge34  1  0.0082  0.9937  0.3533  1
  Ge  Ge35  1  0.3248  0.3370  0.1821  1
  Ge  Ge36  1  0.3285  0.3431  0.4824  1
  Ge  Ge37  1  0.3334  0.3335  0.6803  1
  Ge  Ge38  1  0.3404  0.3363  0.9837  1
  Ge  Ge39  1  0.6695  0.6701  0.5204  1
  Ge  Ge40  1  0.6721  0.6656  0.0206  1
  Ge  Ge41  1  0.9899  0.0061  0.1437  1
  P  P42  1  0.0025  0.7060  0.7490  1
  P  P43  1  0.2838  0.7137  0.2481  1
  P  P44  1  0.2895  0.0023  0.7488  1
  P  P45  1  0.3339  0.0461  0.0834  1
  P  P46  1  0.3752  0.9558  0.4163  1
  P  P47  1  0.6617  0.3776  0.4165  1
  P  P48  1  0.7087  0.2900  0.7490  1
  P  P49  1  0.7122  0.0035  0.2488  1
  P  P50  1  0.9591  0.3749  0.9171  1
  O  O51  1  0.0224  0.1673  0.5868  1
  O  O52  1  0.0331  0.8146  0.0913  1
  O  O53  1  0.0405  0.7876  0.8084  1
  O  O54  1  0.0456  0.1570  0.3106  1
  O  O55  1  0.1248  0.3829  0.6440  1
  O  O56  1  0.1252  0.5033  0.1454  1
  O  O57  1  0.1461  0.3511  0.9261  1
  O  O58  1  0.1588  0.4854  0.4242  1
  O  O59  1  0.1620  0.7938  0.3056  1
  O  O60  1  0.1681  0.0408  0.8087  1
  O  O61  1  0.1685  0.8103  0.5874  1
  O  O62  1  0.1686  0.5370  0.0238  1
  O  O63  1  0.1704  0.0217  0.0893  1
  O  O64  1  0.1728  0.2943  0.5220  1
  O  O65  1  0.1756  0.5200  0.7463  1
  O  O66  1  0.1780  0.8460  0.9103  1
  O  O67  1  0.1851  0.9809  0.4124  1
  O  O68  1  0.1873  0.2980  0.2428  1
  O  O69  1  0.2016  0.8301  0.1903  1
  O  O70  1  0.2053  0.9726  0.6932  1
  O  O71  1  0.2953  0.5311  0.5245  1
  O  O72  1  0.2989  0.1633  0.0256  1
  O  O73  1  0.3027  0.5262  0.2447  1
  O  O74  1  0.3033  0.1760  0.7463  1
  O  O75  1  0.3465  0.4942  0.9251  1
  O  O76  1  0.3561  0.1424  0.4224  1
  O  O77  1  0.3679  0.1268  0.1421  1
  O  O78  1  0.3843  0.4935  0.6448  1
  O  O79  1  0.4575  0.8409  0.4751  1
  O  O80  1  0.4611  0.7097  0.9777  1
  O  O81  1  0.4660  0.6952  0.2540  1
  O  O82  1  0.4731  0.8417  0.7547  1
  O  O83  1  0.4864  0.8803  0.3584  1
  O  O84  1  0.4867  0.1569  0.9266  1
  O  O85  1  0.4917  0.1264  0.6439  1
  O  O86  1  0.4928  0.6175  0.8563  1
  O  O87  1  0.4945  0.3741  0.1446  1
  O  O88  1  0.4974  0.8604  0.0785  1
  O  O89  1  0.5026  0.3467  0.4234  1
  O  O90  1  0.5180  0.6335  0.5745  1
  O  O91  1  0.5221  0.3033  0.7468  1
  O  O92  1  0.5270  0.1740  0.2429  1
  O  O93  1  0.5279  0.1723  0.5210  1
  O  O94  1  0.5398  0.2967  0.0231  1
  O  O95  1  0.6206  0.8916  0.8553  1
  O  O96  1  0.6301  0.8522  0.5766  1
  O  O97  1  0.6307  0.4841  0.3578  1
  O  O98  1  0.6340  0.5145  0.0764  1
  O  O99  1  0.6860  0.8441  0.2541  1
  O  O100  1  0.6877  0.4732  0.7552  1
  O  O101  1  0.7027  0.4577  0.4740  1
  O  O102  1  0.7125  0.8235  0.9754  1
  O  O103  1  0.7906  0.0423  0.3075  1
  O  O104  1  0.7924  0.1698  0.8089  1
  O  O105  1  0.8079  0.0242  0.5860  1
  O  O106  1  0.8193  0.1558  0.0894  1
  O  O107  1  0.8220  0.2068  0.6928  1
  O  O108  1  0.8324  0.7107  0.4764  1
  O  O109  1  0.8329  0.4755  0.2510  1
  O  O110  1  0.8339  0.1896  0.4120  1
  O  O111  1  0.8345  0.4553  0.9731  1
  O  O112  1  0.8364  0.9618  0.1931  1
  O  O113  1  0.8409  0.9836  0.9104  1
  O  O114  1  0.8426  0.6811  0.7562  1
  O  O115  1  0.8448  0.6421  0.0764  1
  O  O116  1  0.8500  0.5153  0.5758  1
  O  O117  1  0.8897  0.4849  0.8584  1
  O  O118  1  0.8898  0.6225  0.3558  1
  O  O119  1  0.9683  0.1857  0.1907  1
  O  O120  1  0.9699  0.8218  0.6930  1
  O  O121  1  0.9738  0.8511  0.4094  1
  O  O122  1  0.9782  0.1874  0.9109  1
]