data_[Na6Ta9In3Si12S6O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  In  1.7800  1.5500  0.9400
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.8661]
_cell_length_b [8.9098]
_cell_length_c [22.9671]
_cell_angle_alpha [89.4710]
_cell_angle_beta [89.4807]
_cell_angle_gamma [60.1612]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Ta3InSi4(SO12)2]
_chemical_formula_sum '[Na6 Ta9 In3 Si12 S6 O72]'
_cell_volume [1573.6764]
_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  0.3030  0.3376  0.6669  1
  Na  Na1  1  0.3327  0.3543  0.1597  1
  Na  Na2  1  0.6442  0.6840  0.3233  1
  Na  Na3  1  0.6636  0.6856  0.8309  1
  Na  Na4  1  0.9884  0.0093  0.9978  1
  Na  Na5  1  0.9945  0.0285  0.4985  1
  Ta  Ta6  1  0.0021  0.9964  0.3524  1
  Ta  Ta7  1  0.0101  0.0045  0.6476  1
  Ta  Ta8  1  0.0115  0.9862  0.8589  1
  Ta  Ta9  1  0.3252  0.3358  0.8127  1
  Ta  Ta10  1  0.3360  0.3387  0.0178  1
  Ta  Ta11  1  0.3556  0.3236  0.3102  1
  Ta  Ta12  1  0.6653  0.6577  0.4772  1
  Ta  Ta13  1  0.6812  0.6562  0.9763  1
  Ta  Ta14  1  0.9916  0.9871  0.1414  1
  In  In15  1  0.3297  0.3172  0.5163  1
  In  In16  1  0.6632  0.6615  0.1870  1
  In  In17  1  0.6813  0.6690  0.6931  1
  Si  Si18  1  0.0087  0.7106  0.7516  1
  Si  Si19  1  0.0502  0.3274  0.9175  1
  Si  Si20  1  0.2855  0.7095  0.2490  1
  Si  Si21  1  0.2928  0.0010  0.7521  1
  Si  Si22  1  0.3321  0.0410  0.4165  1
  Si  Si23  1  0.3433  0.6149  0.9146  1
  Si  Si24  1  0.6159  0.0472  0.9151  1
  Si  Si25  1  0.6252  0.3277  0.4185  1
  Si  Si26  1  0.6654  0.3780  0.0852  1
  Si  Si27  1  0.7157  0.9916  0.2496  1
  Si  Si28  1  0.9567  0.6553  0.0846  1
  Si  Si29  1  0.9584  0.3782  0.5855  1
  S  S30  1  0.0100  0.2803  0.2513  1
  S  S31  1  0.0385  0.6274  0.4161  1
  S  S32  1  0.3723  0.9616  0.0823  1
  S  S33  1  0.3739  0.6715  0.5836  1
  S  S34  1  0.6740  0.9553  0.5832  1
  S  S35  1  0.7157  0.2762  0.7514  1
  O  O36  1  0.0063  0.8075  0.4075  1
  O  O37  1  0.0175  0.8163  0.6916  1
  O  O38  1  0.0208  0.1632  0.9095  1
  O  O39  1  0.0309  0.1805  0.1983  1
  O  O40  1  0.1184  0.5184  0.3650  1
  O  O41  1  0.1356  0.3630  0.8583  1
  O  O42  1  0.1389  0.5640  0.4698  1
  O  O43  1  0.1517  0.3528  0.5812  1
  O  O44  1  0.1524  0.4927  0.0735  1
  O  O45  1  0.1667  0.8060  0.9101  1
  O  O46  1  0.1683  0.2968  0.2579  1
  O  O47  1  0.1687  0.3001  0.9737  1
  O  O48  1  0.1691  0.0309  0.6920  1
  O  O49  1  0.1697  0.8141  0.1915  1
  O  O50  1  0.1777  0.9964  0.4026  1
  O  O51  1  0.1807  0.8259  0.3060  1
  O  O52  1  0.1816  0.9960  0.8079  1
  O  O53  1  0.1918  0.5252  0.7544  1
  O  O54  1  0.1947  0.9806  0.0880  1
  O  O55  1  0.1988  0.8377  0.5860  1
  O  O56  1  0.2720  0.1511  0.4750  1
  O  O57  1  0.2847  0.5249  0.2593  1
  O  O58  1  0.3091  0.5278  0.9723  1
  O  O59  1  0.3091  0.1758  0.7554  1
  O  O60  1  0.3450  0.1391  0.0739  1
  O  O61  1  0.3464  0.5255  0.5758  1
  O  O62  1  0.3577  0.1459  0.3608  1
  O  O63  1  0.3689  0.4974  0.8573  1
  O  O64  1  0.4555  0.8514  0.0310  1
  O  O65  1  0.4613  0.6961  0.5294  1
  O  O66  1  0.4702  0.8966  0.1367  1
  O  O67  1  0.4709  0.8201  0.7474  1
  O  O68  1  0.4727  0.6545  0.6358  1
  O  O69  1  0.4775  0.6828  0.2502  1
  O  O70  1  0.4967  0.1406  0.8575  1
  O  O71  1  0.5002  0.3630  0.3607  1
  O  O72  1  0.5084  0.6419  0.9247  1
  O  O73  1  0.5094  0.3330  0.0719  1
  O  O74  1  0.5138  0.8527  0.4263  1
  O  O75  1  0.5245  0.1753  0.2561  1
  O  O76  1  0.5265  0.1667  0.9719  1
  O  O77  1  0.5296  0.1341  0.5791  1
  O  O78  1  0.5460  0.2819  0.7519  1
  O  O79  1  0.5465  0.2997  0.4771  1
  O  O80  1  0.6146  0.4872  0.1440  1
  O  O81  1  0.6347  0.8578  0.9259  1
  O  O82  1  0.6442  0.5052  0.4254  1
  O  O83  1  0.6447  0.8817  0.6364  1
  O  O84  1  0.6859  0.8510  0.5303  1
  O  O85  1  0.6873  0.4813  0.0283  1
  O  O86  1  0.6936  0.4500  0.7480  1
  O  O87  1  0.6976  0.8232  0.2498  1
  O  O88  1  0.8052  0.0209  0.1906  1
  O  O89  1  0.8052  0.1752  0.6963  1
  O  O90  1  0.8082  0.0272  0.9062  1
  O  O91  1  0.8174  0.1898  0.8033  1
  O  O92  1  0.8208  0.1678  0.4065  1
  O  O93  1  0.8246  0.9945  0.3061  1
  O  O94  1  0.8324  0.6923  0.0275  1
  O  O95  1  0.8349  0.4830  0.5267  1
  O  O96  1  0.8401  0.6876  0.7550  1
  O  O97  1  0.8424  0.9577  0.5859  1
  O  O98  1  0.8499  0.1885  0.0915  1
  O  O99  1  0.8524  0.4500  0.2529  1
  O  O100  1  0.8590  0.6492  0.4233  1
  O  O101  1  0.8605  0.5039  0.9241  1
  O  O102  1  0.8636  0.4811  0.6430  1
  O  O103  1  0.8841  0.6265  0.1446  1
  O  O104  1  0.9674  0.1843  0.5888  1
  O  O105  1  0.9802  0.8323  0.0885  1
  O  O106  1  0.9941  0.8291  0.8074  1
  O  O107  1  0.9988  0.1880  0.3051  1
]