data_[Na12Sc3Ta9Si12P6O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sc  1.3600  1.6000  0.8850
  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 [8.9567]
_cell_length_b [8.9621]
_cell_length_c [22.6944]
_cell_angle_alpha [89.9452]
_cell_angle_beta [89.9033]
_cell_angle_gamma [60.0986]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na4ScTa3Si4(PO12)2]
_chemical_formula_sum '[Na12 Sc3 Ta9 Si12 P6 O72]'
_cell_volume [1579.1937]
_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  0.9906  0.9963  1
  Na  Na1  1  0.0083  0.6258  0.7463  1
  Na  Na2  1  0.0095  0.9962  0.4996  1
  Na  Na3  1  0.0292  0.6775  0.4152  1
  Na  Na4  1  0.3337  0.3242  0.3251  1
  Na  Na5  1  0.3345  0.3195  0.8329  1
  Na  Na6  1  0.3359  0.9759  0.0842  1
  Na  Na7  1  0.6277  0.3668  0.7470  1
  Na  Na8  1  0.6625  0.6720  0.6657  1
  Na  Na9  1  0.6705  0.2948  0.4131  1
  Na  Na10  1  0.6779  0.6657  0.1655  1
  Na  Na11  1  0.6858  0.3401  0.0842  1
  Sc  Sc12  1  0.0051  0.9979  0.3533  1
  Sc  Sc13  1  0.3325  0.3283  0.6861  1
  Sc  Sc14  1  0.3326  0.3342  0.1842  1
  Ta  Ta15  1  0.3325  0.3345  0.9777  1
  Ta  Ta16  1  0.3372  0.3317  0.4815  1
  Ta  Ta17  1  0.6601  0.6715  0.3107  1
  Ta  Ta18  1  0.6655  0.6694  0.5224  1
  Ta  Ta19  1  0.6664  0.6696  0.8139  1
  Ta  Ta20  1  0.6700  0.6674  0.0185  1
  Ta  Ta21  1  0.9936  0.0015  0.6443  1
  Ta  Ta22  1  0.9970  0.0067  0.8570  1
  Ta  Ta23  1  0.9991  0.9966  0.1465  1
  Si  Si24  1  0.0025  0.2877  0.7504  1
  Si  Si25  1  0.0434  0.3381  0.0845  1
  Si  Si26  1  0.0438  0.6241  0.5849  1
  Si  Si27  1  0.3321  0.6212  0.0835  1
  Si  Si28  1  0.3770  0.6688  0.4173  1
  Si  Si29  1  0.3771  0.9570  0.9170  1
  Si  Si30  1  0.6210  0.0438  0.0838  1
  Si  Si31  1  0.6245  0.3341  0.5856  1
  Si  Si32  1  0.6607  0.9581  0.4163  1
  Si  Si33  1  0.6636  0.3785  0.9163  1
  Si  Si34  1  0.7097  0.9997  0.7510  1
  Si  Si35  1  0.9591  0.6650  0.9156  1
  P  P36  1  0.0003  0.7075  0.2523  1
  P  P37  1  0.2862  0.7194  0.7503  1
  P  P38  1  0.2905  0.0009  0.2507  1
  P  P39  1  0.3325  0.0433  0.5834  1
  P  P40  1  0.7091  0.2915  0.2521  1
  P  P41  1  0.9531  0.3833  0.4166  1
  O  O42  1  0.0164  0.7928  0.3087  1
  O  O43  1  0.0219  0.1684  0.8076  1
  O  O44  1  0.0219  0.1622  0.0936  1
  O  O45  1  0.0303  0.8140  0.5890  1
  O  O46  1  0.1189  0.5135  0.6438  1
  O  O47  1  0.1221  0.3712  0.1422  1
  O  O48  1  0.1315  0.3711  0.4239  1
  O  O49  1  0.1452  0.4925  0.9235  1
  O  O50  1  0.1565  0.5300  0.2461  1
  O  O51  1  0.1616  0.3221  0.7480  1
  O  O52  1  0.1636  0.5264  0.5253  1
  O  O53  1  0.1640  0.8180  0.0930  1
  O  O54  1  0.1712  0.0239  0.5885  1
  O  O55  1  0.1714  0.2933  0.0272  1
  O  O56  1  0.1729  0.8070  0.8048  1
  O  O57  1  0.1832  0.0170  0.3048  1
  O  O58  1  0.1846  0.8289  0.4133  1
  O  O59  1  0.1890  0.9725  0.9092  1
  O  O60  1  0.2011  0.8297  0.6945  1
  O  O61  1  0.2041  0.9743  0.1942  1
  O  O62  1  0.2993  0.5325  0.0256  1
  O  O63  1  0.3057  0.5390  0.7463  1
  O  O64  1  0.3071  0.1592  0.5279  1
  O  O65  1  0.3173  0.1541  0.2459  1
  O  O66  1  0.3608  0.1447  0.9239  1
  O  O67  1  0.3634  0.4899  0.4242  1
  O  O68  1  0.3675  0.1176  0.6378  1
  O  O69  1  0.3839  0.4982  0.1396  1
  O  O70  1  0.4664  0.8395  0.9755  1
  O  O71  1  0.4698  0.6976  0.7561  1
  O  O72  1  0.4732  0.8275  0.2561  1
  O  O73  1  0.4794  0.6859  0.4733  1
  O  O74  1  0.4873  0.1482  0.4233  1
  O  O75  1  0.4923  0.8610  0.5729  1
  O  O76  1  0.4933  0.3596  0.9230  1
  O  O77  1  0.4974  0.6530  0.0733  1
  O  O78  1  0.5004  0.1183  0.1404  1
  O  O79  1  0.5016  0.8586  0.8598  1
  O  O80  1  0.5063  0.6293  0.3596  1
  O  O81  1  0.5145  0.3665  0.6443  1
  O  O82  1  0.5276  0.1735  0.7471  1
  O  O83  1  0.5297  0.3047  0.5263  1
  O  O84  1  0.5302  0.3147  0.2463  1
  O  O85  1  0.5361  0.1709  0.0265  1
  O  O86  1  0.6377  0.8585  0.3585  1
  O  O87  1  0.6397  0.4958  0.8574  1
  O  O88  1  0.6464  0.8513  0.0736  1
  O  O89  1  0.6498  0.5005  0.5730  1
  O  O90  1  0.6915  0.4691  0.9744  1
  O  O91  1  0.6942  0.8307  0.4720  1
  O  O92  1  0.7004  0.4726  0.2563  1
  O  O93  1  0.7014  0.8205  0.7558  1
  O  O94  1  0.7952  0.1886  0.3080  1
  O  O95  1  0.8127  0.0284  0.0932  1
  O  O96  1  0.8136  0.0193  0.8070  1
  O  O97  1  0.8172  0.1606  0.5894  1
  O  O98  1  0.8197  0.4766  0.7557  1
  O  O99  1  0.8257  0.1994  0.1962  1
  O  O100  1  0.8274  0.9836  0.4119  1
  O  O101  1  0.8300  0.6955  0.2560  1
  O  O102  1  0.8342  0.6937  0.9721  1
  O  O103  1  0.8365  0.1884  0.9101  1
  O  O104  1  0.8381  0.9639  0.6927  1
  O  O105  1  0.8383  0.4712  0.4711  1
  O  O106  1  0.8449  0.4954  0.0745  1
  O  O107  1  0.8501  0.6516  0.5729  1
  O  O108  1  0.8656  0.6380  0.8568  1
  O  O109  1  0.8684  0.5004  0.3616  1
  O  O110  1  0.9663  0.2074  0.4116  1
  O  O111  1  0.9714  0.1918  0.6931  1
  O  O112  1  0.9756  0.8282  0.1977  1
  O  O113  1  0.9778  0.8352  0.9085  1
]