data_[Na15Si9Ge12P9O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [8.5748]
_cell_length_b [8.5778]
_cell_length_c [21.7310]
_cell_angle_alpha [89.8538]
_cell_angle_beta [89.9581]
_cell_angle_gamma [60.0547]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na5Si3Ge4(PO8)3]
_chemical_formula_sum '[Na15 Si9 Ge12 P9 O72]'
_cell_volume [1384.9892]
_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  0.0008  0.0030  0.9992  1
  Na  Na1  1  0.0323  0.6643  0.4171  1
  Na  Na2  1  0.2999  0.0338  0.4155  1
  Na  Na3  1  0.3308  0.3340  0.8334  1
  Na  Na4  1  0.3334  0.3364  0.3326  1
  Na  Na5  1  0.3358  0.9654  0.0841  1
  Na  Na6  1  0.6326  0.9999  0.2501  1
  Na  Na7  1  0.6571  0.6645  0.6673  1
  Na  Na8  1  0.6650  0.6570  0.1675  1
  Na  Na9  1  0.6673  0.0315  0.9173  1
  Na  Na10  1  0.7002  0.9685  0.5824  1
  Na  Na11  1  0.9644  0.3365  0.5839  1
  Na  Na12  1  0.9687  0.7007  0.0823  1
  Na  Na13  1  0.9970  0.0018  0.5000  1
  Na  Na14  1  0.9999  0.6326  0.7503  1
  Si  Si15  1  0.0016  0.2838  0.7502  1
  Si  Si16  1  0.0513  0.6230  0.5835  1
  Si  Si17  1  0.2860  0.0001  0.2500  1
  Si  Si18  1  0.3398  0.6155  0.0841  1
  Si  Si19  1  0.6139  0.3401  0.5840  1
  Si  Si20  1  0.6214  0.0519  0.0828  1
  Si  Si21  1  0.6667  0.9584  0.4166  1
  Si  Si22  1  0.9504  0.3786  0.4159  1
  Si  Si23  1  0.9609  0.6612  0.9163  1
  Ge  Ge24  1  0.0011  0.9993  0.1468  1
  Ge  Ge25  1  0.0071  0.9976  0.8532  1
  Ge  Ge26  1  0.3289  0.3438  0.9806  1
  Ge  Ge27  1  0.3321  0.3340  0.6865  1
  Ge  Ge28  1  0.3336  0.3322  0.1863  1
  Ge  Ge29  1  0.3382  0.3335  0.4801  1
  Ge  Ge30  1  0.6639  0.6683  0.3140  1
  Ge  Ge31  1  0.6649  0.6678  0.0193  1
  Ge  Ge32  1  0.6715  0.6578  0.8136  1
  Ge  Ge33  1  0.6729  0.6594  0.5198  1
  Ge  Ge34  1  0.9928  0.0114  0.3528  1
  Ge  Ge35  1  0.9989  0.0016  0.6471  1
  P  P36  1  0.0050  0.7075  0.2505  1
  P  P37  1  0.0441  0.3334  0.0831  1
  P  P38  1  0.2913  0.7143  0.7503  1
  P  P39  1  0.3340  0.0422  0.5835  1
  P  P40  1  0.3765  0.9535  0.9158  1
  P  P41  1  0.3843  0.6623  0.4167  1
  P  P42  1  0.6671  0.3814  0.9167  1
  P  P43  1  0.7064  0.0047  0.7506  1
  P  P44  1  0.7131  0.2920  0.2494  1
  O  O45  1  0.0219  0.8245  0.5921  1
  O  O46  1  0.0272  0.1638  0.0901  1
  O  O47  1  0.0352  0.7930  0.3085  1
  O  O48  1  0.0377  0.1591  0.8104  1
  O  O49  1  0.1228  0.3764  0.1404  1
  O  O50  1  0.1280  0.4942  0.6440  1
  O  O51  1  0.1513  0.3579  0.4236  1
  O  O52  1  0.1565  0.4826  0.9236  1
  O  O53  1  0.1600  0.8180  0.0905  1
  O  O54  1  0.1634  0.0272  0.5901  1
  O  O55  1  0.1651  0.0347  0.3114  1
  O  O56  1  0.1659  0.7922  0.8072  1
  O  O57  1  0.1673  0.2896  0.0263  1
  O  O58  1  0.1679  0.5360  0.5214  1
  O  O59  1  0.1725  0.5211  0.2434  1
  O  O60  1  0.1774  0.3122  0.7431  1
  O  O61  1  0.1892  0.9721  0.9102  1
  O  O62  1  0.1932  0.8309  0.4104  1
  O  O63  1  0.2003  0.9651  0.1884  1
  O  O64  1  0.2063  0.8307  0.6925  1
  O  O65  1  0.2855  0.5391  0.0245  1
  O  O66  1  0.2911  0.1621  0.5251  1
  O  O67  1  0.3060  0.5270  0.7444  1
  O  O68  1  0.3125  0.1770  0.2431  1
  O  O69  1  0.3583  0.4980  0.4223  1
  O  O70  1  0.3631  0.1396  0.9227  1
  O  O71  1  0.3700  0.4944  0.1446  1
  O  O72  1  0.3757  0.1237  0.6400  1
  O  O73  1  0.4561  0.8398  0.9753  1
  O  O74  1  0.4609  0.7084  0.4736  1
  O  O75  1  0.4776  0.6969  0.7583  1
  O  O76  1  0.4853  0.1528  0.4238  1
  O  O77  1  0.4894  0.8234  0.2566  1
  O  O78  1  0.4938  0.3690  0.6447  1
  O  O79  1  0.4942  0.1277  0.1437  1
  O  O80  1  0.4984  0.6286  0.3586  1
  O  O81  1  0.5013  0.3547  0.9224  1
  O  O82  1  0.5020  0.8692  0.8597  1
  O  O83  1  0.5041  0.8571  0.5761  1
  O  O84  1  0.5122  0.6449  0.0751  1
  O  O85  1  0.5204  0.1726  0.7433  1
  O  O86  1  0.5263  0.3053  0.2440  1
  O  O87  1  0.5325  0.1689  0.0207  1
  O  O88  1  0.5364  0.2866  0.5242  1
  O  O89  1  0.6226  0.8740  0.3560  1
  O  O90  1  0.6277  0.4992  0.8590  1
  O  O91  1  0.6409  0.5140  0.5766  1
  O  O92  1  0.6448  0.8490  0.0762  1
  O  O93  1  0.6907  0.8324  0.7568  1
  O  O94  1  0.6950  0.4778  0.2571  1
  O  O95  1  0.7027  0.4630  0.9743  1
  O  O96  1  0.7069  0.8307  0.4773  1
  O  O97  1  0.7906  0.1665  0.3066  1
  O  O98  1  0.7916  0.0353  0.8087  1
  O  O99  1  0.8167  0.1601  0.5904  1
  O  O100  1  0.8233  0.0221  0.0917  1
  O  O101  1  0.8247  0.4875  0.7563  1
  O  O102  1  0.8293  0.7087  0.9768  1
  O  O103  1  0.8300  0.9586  0.6929  1
  O  O104  1  0.8308  0.2054  0.1922  1
  O  O105  1  0.8313  0.6944  0.2558  1
  O  O106  1  0.8336  0.1898  0.9103  1
  O  O107  1  0.8338  0.4598  0.4783  1
  O  O108  1  0.8483  0.6468  0.5775  1
  O  O109  1  0.8509  0.9674  0.4079  1
  O  O110  1  0.8580  0.5038  0.0759  1
  O  O111  1  0.8653  0.5111  0.3569  1
  O  O112  1  0.8683  0.6325  0.8553  1
  O  O113  1  0.9598  0.8308  0.1926  1
  O  O114  1  0.9650  0.2007  0.6881  1
  O  O115  1  0.9718  0.8475  0.9082  1
  O  O116  1  0.9811  0.1762  0.4101  1
]