data_[Na3Zr6Ta6Si3P15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Ta  1.5000  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 [8.8768]
_cell_length_b [8.8770]
_cell_length_c [23.0070]
_cell_angle_alpha [89.9570]
_cell_angle_beta [89.8896]
_cell_angle_gamma [60.0079]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaZr2Ta2SiP5O24]
_chemical_formula_sum '[Na3 Zr6 Ta6 Si3 P15 O72]'
_cell_volume [1570.1733]
_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  0.0003  0.9969  0.0018  1
  Na  Na1  1  0.3329  0.3333  0.6635  1
  Na  Na2  1  0.3340  0.3332  0.1687  1
  Zr  Zr3  1  0.3324  0.3338  0.5189  1
  Zr  Zr4  1  0.3339  0.3337  0.3139  1
  Zr  Zr5  1  0.6673  0.6666  0.4790  1
  Zr  Zr6  1  0.6689  0.6646  0.6905  1
  Zr  Zr7  1  0.9983  0.0028  0.8549  1
  Zr  Zr8  1  0.9999  0.9977  0.1425  1
  Ta  Ta9  1  0.0013  0.0030  0.6444  1
  Ta  Ta10  1  0.3324  0.3338  0.8110  1
  Ta  Ta11  1  0.3348  0.3336  0.0240  1
  Ta  Ta12  1  0.6616  0.6701  0.1901  1
  Ta  Ta13  1  0.6645  0.6707  0.9760  1
  Ta  Ta14  1  0.9995  0.0001  0.3545  1
  Si  Si15  1  0.0041  0.2848  0.7502  1
  Si  Si16  1  0.3857  0.6656  0.0827  1
  Si  Si17  1  0.6647  0.9496  0.0825  1
  P  P18  1  0.0430  0.3293  0.4158  1
  P  P19  1  0.0495  0.6137  0.9180  1
  P  P20  1  0.2820  0.7126  0.7498  1
  P  P21  1  0.2874  0.9982  0.2494  1
  P  P22  1  0.3297  0.6278  0.4159  1
  P  P23  1  0.3358  0.0496  0.9178  1
  P  P24  1  0.3753  0.9567  0.5845  1
  P  P25  1  0.6155  0.3355  0.9179  1
  P  P26  1  0.6272  0.0429  0.4159  1
  P  P27  1  0.6673  0.3749  0.5846  1
  P  P28  1  0.7120  0.0058  0.7499  1
  P  P29  1  0.7153  0.2887  0.2494  1
  P  P30  1  0.9475  0.3892  0.0822  1
  P  P31  1  0.9569  0.6693  0.5846  1
  P  P32  1  0.9969  0.7137  0.2495  1
  O  O33  1  0.0255  0.1656  0.4030  1
  O  O34  1  0.0274  0.7967  0.1955  1
  O  O35  1  0.0294  0.7948  0.9134  1
  O  O36  1  0.0361  0.1577  0.6940  1
  O  O37  1  0.1290  0.3582  0.3622  1
  O  O38  1  0.1313  0.3708  0.0737  1
  O  O39  1  0.1404  0.5019  0.8630  1
  O  O40  1  0.1415  0.5094  0.5774  1
  O  O41  1  0.1563  0.5310  0.2565  1
  O  O42  1  0.1599  0.2932  0.4691  1
  O  O43  1  0.1639  0.7959  0.6962  1
  O  O44  1  0.1643  0.5218  0.9716  1
  O  O45  1  0.1658  0.8087  0.4029  1
  O  O46  1  0.1764  0.0265  0.9133  1
  O  O47  1  0.1769  0.0271  0.1953  1
  O  O48  1  0.1818  0.3008  0.7597  1
  O  O49  1  0.1932  0.9718  0.5946  1
  O  O50  1  0.1958  0.8360  0.0867  1
  O  O51  1  0.1972  0.9741  0.3035  1
  O  O52  1  0.1988  0.8187  0.8049  1
  O  O53  1  0.2931  0.5468  0.4693  1
  O  O54  1  0.3024  0.5269  0.7592  1
  O  O55  1  0.3116  0.1639  0.9715  1
  O  O56  1  0.3148  0.1548  0.2567  1
  O  O57  1  0.3466  0.1426  0.5772  1
  O  O58  1  0.3588  0.5129  0.3624  1
  O  O59  1  0.3596  0.1384  0.8630  1
  O  O60  1  0.3636  0.4925  0.0740  1
  O  O61  1  0.4572  0.8465  0.5300  1
  O  O62  1  0.4610  0.6894  0.7406  1
  O  O63  1  0.4689  0.8307  0.2415  1
  O  O64  1  0.4836  0.6843  0.0251  1
  O  O65  1  0.4860  0.6513  0.4254  1
  O  O66  1  0.4867  0.1409  0.0739  1
  O  O67  1  0.4870  0.8745  0.6382  1
  O  O68  1  0.5018  0.8693  0.9255  1
  O  O69  1  0.5042  0.3592  0.8633  1
  O  O70  1  0.5055  0.6336  0.1407  1
  O  O71  1  0.5087  0.3488  0.5775  1
  O  O72  1  0.5129  0.1288  0.3624  1
  O  O73  1  0.5218  0.3128  0.9719  1
  O  O74  1  0.5299  0.1753  0.7594  1
  O  O75  1  0.5315  0.3146  0.2567  1
  O  O76  1  0.5461  0.1601  0.4693  1
  O  O77  1  0.6342  0.4972  0.9269  1
  O  O78  1  0.6372  0.4889  0.6379  1
  O  O79  1  0.6385  0.8571  0.1403  1
  O  O80  1  0.6513  0.8627  0.4253  1
  O  O81  1  0.6815  0.8544  0.7406  1
  O  O82  1  0.6903  0.8309  0.0249  1
  O  O83  1  0.6984  0.4549  0.5301  1
  O  O84  1  0.7027  0.4681  0.2410  1
  O  O85  1  0.7951  0.1712  0.9145  1
  O  O86  1  0.7973  0.1765  0.1954  1
  O  O87  1  0.7989  0.0359  0.6964  1
  O  O88  1  0.8086  0.0255  0.4031  1
  O  O89  1  0.8203  0.9767  0.8050  1
  O  O90  1  0.8292  0.1966  0.3035  1
  O  O91  1  0.8298  0.9781  0.0867  1
  O  O92  1  0.8309  0.1917  0.5955  1
  O  O93  1  0.8327  0.6973  0.2405  1
  O  O94  1  0.8384  0.4752  0.0274  1
  O  O95  1  0.8422  0.4745  0.7408  1
  O  O96  1  0.8465  0.6981  0.5300  1
  O  O97  1  0.8630  0.4856  0.4253  1
  O  O98  1  0.8668  0.4990  0.1375  1
  O  O99  1  0.8715  0.6257  0.9261  1
  O  O100  1  0.8721  0.6389  0.6379  1
  O  O101  1  0.9707  0.2070  0.0875  1
  O  O102  1  0.9730  0.8287  0.3035  1
  O  O103  1  0.9752  0.8320  0.5962  1
  O  O104  1  0.9789  0.1964  0.8080  1
]