data_[Na6Ta3In9Si6S12O72]
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 [8.9068]
_cell_length_b [8.9154]
_cell_length_c [23.3037]
_cell_angle_alpha [90.1719]
_cell_angle_beta [90.3805]
_cell_angle_gamma [119.9019]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2TaIn3Si2(SO6)4]
_chemical_formula_sum '[Na6 Ta3 In9 Si6 S12 O72]'
_cell_volume [1604.0780]
_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  0.3209  0.6740  0.6713  1
  Na  Na1  1  0.3451  0.6915  0.1555  1
  Na  Na2  1  0.6462  0.3052  0.3305  1
  Na  Na3  1  0.6891  0.3645  0.8332  1
  Na  Na4  1  0.9688  0.9981  0.9956  1
  Na  Na5  1  0.9826  0.9975  0.4958  1
  Ta  Ta6  1  0.3231  0.6557  0.8196  1
  Ta  Ta7  1  0.3430  0.6868  0.3124  1
  Ta  Ta8  1  0.6780  0.3305  0.9778  1
  In  In9  1  0.0003  0.0024  0.1436  1
  In  In10  1  0.0016  0.9901  0.6545  1
  In  In11  1  0.3435  0.6657  0.0176  1
  In  In12  1  0.3477  0.6794  0.5167  1
  In  In13  1  0.6512  0.3095  0.1841  1
  In  In14  1  0.6649  0.3227  0.4781  1
  In  In15  1  0.6780  0.3427  0.6863  1
  In  In16  1  0.9845  0.9863  0.8537  1
  In  In17  1  0.9974  0.0031  0.3494  1
  Si  Si18  1  0.0067  0.7057  0.7501  1
  Si  Si19  1  0.0450  0.3704  0.9200  1
  Si  Si20  1  0.2859  0.0101  0.2505  1
  Si  Si21  1  0.6270  0.6610  0.9190  1
  Si  Si22  1  0.6371  0.9650  0.4178  1
  Si  Si23  1  0.6656  0.0334  0.0833  1
  S  S24  1  0.0038  0.3059  0.2520  1
  S  S25  1  0.0437  0.6647  0.4162  1
  S  S26  1  0.2944  0.3000  0.7506  1
  S  S27  1  0.3343  0.3804  0.4169  1
  S  S28  1  0.3400  0.9618  0.9168  1
  S  S29  1  0.3705  0.0418  0.5842  1
  S  S30  1  0.3786  0.3321  0.0820  1
  S  S31  1  0.6664  0.6263  0.5816  1
  S  S32  1  0.6946  0.9950  0.7487  1
  S  S33  1  0.6980  0.6988  0.2508  1
  S  S34  1  0.9514  0.6180  0.0832  1
  S  S35  1  0.9698  0.3323  0.5827  1
  O  O36  1  0.0239  0.1855  0.9077  1
  O  O37  1  0.0277  0.8202  0.4118  1
  O  O38  1  0.0373  0.2341  0.2003  1
  O  O39  1  0.0457  0.8093  0.6892  1
  O  O40  1  0.1224  0.6331  0.0795  1
  O  O41  1  0.1367  0.5013  0.8628  1
  O  O42  1  0.1372  0.6467  0.3652  1
  O  O43  1  0.1387  0.6806  0.4703  1
  O  O44  1  0.1443  0.4896  0.5777  1
  O  O45  1  0.1466  0.4591  0.9771  1
  O  O46  1  0.1663  0.9622  0.1933  1
  O  O47  1  0.1678  0.4764  0.2639  1
  O  O48  1  0.1839  0.6872  0.7614  1
  O  O49  1  0.1860  0.2031  0.4128  1
  O  O50  1  0.1898  0.2338  0.6967  1
  O  O51  1  0.1980  0.0295  0.5868  1
  O  O52  1  0.1989  0.9960  0.9074  1
  O  O53  1  0.2050  0.0271  0.3100  1
  O  O54  1  0.2121  0.1953  0.8006  1
  O  O55  1  0.2138  0.1660  0.0818  1
  O  O56  1  0.3080  0.8285  0.2627  1
  O  O57  1  0.3081  0.8602  0.9688  1
  O  O58  1  0.3093  0.4539  0.4707  1
  O  O59  1  0.3167  0.4796  0.7581  1
  O  O60  1  0.3427  0.4847  0.3661  1
  O  O61  1  0.3467  0.4789  0.0799  1
  O  O62  1  0.3492  0.8648  0.5818  1
  O  O63  1  0.3643  0.8721  0.8650  1
  O  O64  1  0.4524  0.1404  0.5314  1
  O  O65  1  0.4676  0.3195  0.7438  1
  O  O66  1  0.4769  0.1259  0.6361  1
  O  O67  1  0.4772  0.3596  0.1360  1
  O  O68  1  0.4780  0.3268  0.0312  1
  O  O69  1  0.4835  0.1688  0.2499  1
  O  O70  1  0.4895  0.8477  0.0792  1
  O  O71  1  0.5009  0.3789  0.4187  1
  O  O72  1  0.5021  0.6413  0.8608  1
  O  O73  1  0.5053  0.6379  0.5797  1
  O  O74  1  0.5060  0.1306  0.9211  1
  O  O75  1  0.5065  0.8516  0.3616  1
  O  O76  1  0.5144  0.6726  0.2608  1
  O  O77  1  0.5251  0.8340  0.7571  1
  O  O78  1  0.5522  0.7025  0.9742  1
  O  O79  1  0.5577  0.8579  0.4758  1
  O  O80  1  0.6260  0.4738  0.9263  1
  O  O81  1  0.6391  0.1491  0.4156  1
  O  O82  1  0.6485  0.5253  0.6337  1
  O  O83  1  0.6498  0.1157  0.1424  1
  O  O84  1  0.6615  0.1413  0.7420  1
  O  O85  1  0.6763  0.5263  0.2436  1
  O  O86  1  0.6779  0.1603  0.0269  1
  O  O87  1  0.6859  0.5424  0.5290  1
  O  O88  1  0.7612  0.8091  0.2003  1
  O  O89  1  0.7693  0.9689  0.6950  1
  O  O90  1  0.7968  0.7749  0.3038  1
  O  O91  1  0.8085  0.0352  0.7988  1
  O  O92  1  0.8205  0.8028  0.5848  1
  O  O93  1  0.8226  0.8155  0.9132  1
  O  O94  1  0.8260  0.9829  0.4106  1
  O  O95  1  0.8397  0.5089  0.7472  1
  O  O96  1  0.8435  0.5238  0.0298  1
  O  O97  1  0.8469  0.0269  0.0830  1
  O  O98  1  0.8506  0.3560  0.9252  1
  O  O99  1  0.8625  0.3457  0.2461  1
  O  O100  1  0.8648  0.3076  0.5300  1
  O  O101  1  0.8666  0.5228  0.1354  1
  O  O102  1  0.8713  0.5063  0.4167  1
  O  O103  1  0.8894  0.3574  0.6344  1
  O  O104  1  0.9623  0.7881  0.0816  1
  O  O105  1  0.9663  0.1966  0.3030  1
  O  O106  1  0.9791  0.7990  0.8039  1
  O  O107  1  0.9863  0.1741  0.5885  1
]