data_[Na3Ca2Nb10Si3P15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Nb  1.6000  1.4500  0.8200
  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 [8.8755]
_cell_length_b [8.8751]
_cell_length_c [22.9616]
_cell_angle_alpha [89.9004]
_cell_angle_beta [89.8910]
_cell_angle_gamma [60.0287]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na3Ca2Nb10Si3(P5O24)3]
_chemical_formula_sum '[Na3 Ca2 Nb10 Si3 P15 O72]'
_cell_volume [1566.8297]
_cell_formula_units_Z [1]
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  0.3330  0.3342  0.6572  1
  Na  Na1  1  0.3333  0.3339  0.1592  1
  Na  Na2  1  0.9996  0.9983  0.9964  1
  Ca  Ca3  1  0.3329  0.3318  0.5221  1
  Ca  Ca4  1  0.3343  0.3316  0.0222  1
  Nb  Nb5  1  0.0027  0.0020  0.1436  1
  Nb  Nb6  1  0.0046  0.9989  0.3539  1
  Nb  Nb7  1  0.3331  0.3317  0.8122  1
  Nb  Nb8  1  0.3332  0.3313  0.3151  1
  Nb  Nb9  1  0.6657  0.6683  0.4784  1
  Nb  Nb10  1  0.6663  0.6681  0.1933  1
  Nb  Nb11  1  0.6669  0.6677  0.6944  1
  Nb  Nb12  1  0.6676  0.6669  0.9748  1
  Nb  Nb13  1  0.9959  0.0065  0.6402  1
  Nb  Nb14  1  0.9965  0.0028  0.8493  1
  Si  Si15  1  0.0070  0.2822  0.7468  1
  Si  Si16  1  0.2839  0.0079  0.2488  1
  Si  Si17  1  0.7111  0.0078  0.7474  1
  P  P18  1  0.0071  0.7121  0.2491  1
  P  P19  1  0.0387  0.3345  0.4167  1
  P  P20  1  0.0436  0.6288  0.9175  1
  P  P21  1  0.2798  0.7133  0.7478  1
  P  P22  1  0.3290  0.0414  0.9169  1
  P  P23  1  0.3344  0.6249  0.4168  1
  P  P24  1  0.3823  0.9432  0.5866  1
  P  P25  1  0.3836  0.6733  0.0861  1
  P  P26  1  0.6268  0.0401  0.4165  1
  P  P27  1  0.6292  0.3290  0.9172  1
  P  P28  1  0.6709  0.3848  0.5862  1
  P  P29  1  0.6755  0.9424  0.0860  1
  P  P30  1  0.7119  0.2819  0.2489  1
  P  P31  1  0.9428  0.3825  0.0857  1
  P  P32  1  0.9438  0.6726  0.5867  1
  O  O33  1  0.0021  0.1869  0.3982  1
  O  O34  1  0.0059  0.8156  0.9038  1
  O  O35  1  0.0342  0.7997  0.1944  1
  O  O36  1  0.0439  0.1566  0.6907  1
  O  O37  1  0.1207  0.5130  0.5868  1
  O  O38  1  0.1220  0.3587  0.0875  1
  O  O39  1  0.1334  0.3649  0.3627  1
  O  O40  1  0.1344  0.5084  0.8642  1
  O  O41  1  0.1455  0.5678  0.9726  1
  O  O42  1  0.1491  0.2825  0.4695  1
  O  O43  1  0.1592  0.0372  0.1917  1
  O  O44  1  0.1646  0.7935  0.6940  1
  O  O45  1  0.1711  0.5317  0.2579  1
  O  O46  1  0.1740  0.3086  0.7603  1
  O  O47  1  0.1820  0.8081  0.3989  1
  O  O48  1  0.1842  0.9983  0.9024  1
  O  O49  1  0.1886  0.9785  0.3037  1
  O  O50  1  0.1977  0.8262  0.8022  1
  O  O51  1  0.2005  0.8463  0.0906  1
  O  O52  1  0.2064  0.9449  0.5914  1
  O  O53  1  0.2832  0.1456  0.9716  1
  O  O54  1  0.2865  0.5642  0.4701  1
  O  O55  1  0.3020  0.5308  0.7597  1
  O  O56  1  0.3043  0.1794  0.2590  1
  O  O57  1  0.3582  0.1347  0.8637  1
  O  O58  1  0.3618  0.1213  0.5866  1
  O  O59  1  0.3626  0.5160  0.0881  1
  O  O60  1  0.3648  0.5026  0.3628  1
  O  O61  1  0.4619  0.6910  0.7401  1
  O  O62  1  0.4707  0.6918  0.0296  1
  O  O63  1  0.4745  0.8377  0.5295  1
  O  O64  1  0.4763  0.8376  0.2392  1
  O  O65  1  0.4880  0.6714  0.1404  1
  O  O66  1  0.4901  0.8424  0.6399  1
  O  O67  1  0.4988  0.6432  0.4247  1
  O  O68  1  0.5001  0.1351  0.3627  1
  O  O69  1  0.5002  0.8603  0.9254  1
  O  O70  1  0.5089  0.3589  0.8642  1
  O  O71  1  0.5150  0.3612  0.5863  1
  O  O72  1  0.5169  0.1192  0.0881  1
  O  O73  1  0.5215  0.1800  0.7606  1
  O  O74  1  0.5285  0.3054  0.2580  1
  O  O75  1  0.5671  0.1494  0.4696  1
  O  O76  1  0.5708  0.2843  0.9723  1
  O  O77  1  0.6398  0.8598  0.4244  1
  O  O78  1  0.6437  0.4979  0.9258  1
  O  O79  1  0.6636  0.4914  0.6396  1
  O  O80  1  0.6744  0.8388  0.1404  1
  O  O81  1  0.6830  0.8416  0.7392  1
  O  O82  1  0.6868  0.4751  0.5292  1
  O  O83  1  0.6916  0.8368  0.0297  1
  O  O84  1  0.6933  0.4629  0.2397  1
  O  O85  1  0.7956  0.1660  0.1941  1
  O  O86  1  0.8044  0.0390  0.6914  1
  O  O87  1  0.8078  0.0064  0.3967  1
  O  O88  1  0.8177  0.1802  0.9036  1
  O  O89  1  0.8263  0.1961  0.3018  1
  O  O90  1  0.8327  0.9741  0.8046  1
  O  O91  1  0.8349  0.4723  0.7391  1
  O  O92  1  0.8368  0.6890  0.5298  1
  O  O93  1  0.8376  0.4715  0.0294  1
  O  O94  1  0.8414  0.4855  0.1401  1
  O  O95  1  0.8420  0.6654  0.6402  1
  O  O96  1  0.8457  0.2065  0.5904  1
  O  O97  1  0.8481  0.9506  0.0905  1
  O  O98  1  0.8490  0.6859  0.2397  1
  O  O99  1  0.8588  0.5019  0.4246  1
  O  O100  1  0.8599  0.6430  0.9257  1
  O  O101  1  0.9485  0.2009  0.0900  1
  O  O102  1  0.9507  0.8439  0.5919  1
  O  O103  1  0.9733  0.8275  0.3022  1
  O  O104  1  0.9805  0.1891  0.8040  1
]