data_[Ta6Si9Sn6S9O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.8605]
_cell_length_b [8.8664]
_cell_length_c [22.9011]
_cell_angle_alpha [89.8963]
_cell_angle_beta [89.7029]
_cell_angle_gamma [60.2514]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ta2Si3Sn2(SO8)3]
_chemical_formula_sum '[Ta6 Si9 Sn6 S9 O72]'
_cell_volume [1562.0014]
_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
[
  Ta  Ta0  1  0.0111  0.9852  0.8617  1
  Ta  Ta1  1  0.3342  0.3309  0.6895  1
  Ta  Ta2  1  0.3418  0.3218  0.1948  1
  Ta  Ta3  1  0.6575  0.6621  0.0245  1
  Ta  Ta4  1  0.6739  0.6703  0.5182  1
  Ta  Ta5  1  0.9876  0.9906  0.3570  1
  Si  Si6  1  0.2917  0.7123  0.2512  1
  Si  Si7  1  0.3283  0.0492  0.0842  1
  Si  Si8  1  0.3894  0.6549  0.9167  1
  Si  Si9  1  0.6191  0.0446  0.5825  1
  Si  Si10  1  0.6736  0.3788  0.4154  1
  Si  Si11  1  0.7201  0.9908  0.2487  1
  Si  Si12  1  0.9544  0.3791  0.9177  1
  Si  Si13  1  0.9608  0.6568  0.4148  1
  Si  Si14  1  0.9949  0.7121  0.7514  1
  Sn  Sn15  1  0.0146  0.9886  0.1485  1
  Sn  Sn16  1  0.3200  0.3364  0.9789  1
  Sn  Sn17  1  0.3472  0.3310  0.4746  1
  Sn  Sn18  1  0.6678  0.6639  0.3107  1
  Sn  Sn19  1  0.6779  0.6574  0.8154  1
  Sn  Sn20  1  0.9886  0.9945  0.6451  1
  S  S21  1  0.0001  0.2866  0.2501  1
  S  S22  1  0.0424  0.6232  0.0839  1
  S  S23  1  0.0455  0.3312  0.5843  1
  S  S24  1  0.2863  0.9991  0.7497  1
  S  S25  1  0.3342  0.6225  0.5842  1
  S  S26  1  0.3758  0.9546  0.4169  1
  S  S27  1  0.6217  0.3289  0.0840  1
  S  S28  1  0.6650  0.9553  0.9175  1
  S  S29  1  0.7117  0.2883  0.7498  1
  O  O30  1  0.0174  0.7995  0.0893  1
  O  O31  1  0.0267  0.8111  0.8069  1
  O  O32  1  0.0282  0.1754  0.5955  1
  O  O33  1  0.0354  0.1770  0.3018  1
  O  O34  1  0.1222  0.5126  0.1349  1
  O  O35  1  0.1292  0.3619  0.6375  1
  O  O36  1  0.1434  0.4911  0.4308  1
  O  O37  1  0.1464  0.3498  0.9238  1
  O  O38  1  0.1511  0.5515  0.0303  1
  O  O39  1  0.1516  0.3006  0.5322  1
  O  O40  1  0.1586  0.0272  0.0909  1
  O  O41  1  0.1591  0.3055  0.2410  1
  O  O42  1  0.1625  0.8112  0.3075  1
  O  O43  1  0.1698  0.5194  0.7370  1
  O  O44  1  0.1734  0.0336  0.8018  1
  O  O45  1  0.1836  0.7993  0.5933  1
  O  O46  1  0.1954  0.8331  0.9069  1
  O  O47  1  0.2047  0.9695  0.4108  1
  O  O48  1  0.2086  0.9739  0.6960  1
  O  O49  1  0.2146  0.8246  0.1925  1
  O  O50  1  0.2949  0.5503  0.5329  1
  O  O51  1  0.3013  0.5232  0.2364  1
  O  O52  1  0.3014  0.1608  0.7409  1
  O  O53  1  0.3068  0.1602  0.0255  1
  O  O54  1  0.3547  0.1280  0.4265  1
  O  O55  1  0.3582  0.5096  0.6372  1
  O  O56  1  0.3585  0.1476  0.1399  1
  O  O57  1  0.3637  0.4923  0.9287  1
  O  O58  1  0.4606  0.8503  0.7576  1
  O  O59  1  0.4611  0.8415  0.4705  1
  O  O60  1  0.4757  0.6979  0.9734  1
  O  O61  1  0.4833  0.6825  0.2590  1
  O  O62  1  0.4856  0.8829  0.3652  1
  O  O63  1  0.4919  0.6357  0.5778  1
  O  O64  1  0.4920  0.6392  0.8564  1
  O  O65  1  0.4933  0.1464  0.6408  1
  O  O66  1  0.5066  0.8564  0.0716  1
  O  O67  1  0.5072  0.3542  0.4237  1
  O  O68  1  0.5078  0.3656  0.1357  1
  O  O69  1  0.5191  0.1308  0.9251  1
  O  O70  1  0.5242  0.1682  0.5280  1
  O  O71  1  0.5269  0.1696  0.2398  1
  O  O72  1  0.5347  0.3046  0.7398  1
  O  O73  1  0.5454  0.3043  0.0302  1
  O  O74  1  0.6321  0.8848  0.8636  1
  O  O75  1  0.6339  0.8542  0.5738  1
  O  O76  1  0.6339  0.5013  0.3599  1
  O  O77  1  0.6367  0.4918  0.0762  1
  O  O78  1  0.6832  0.4654  0.7554  1
  O  O79  1  0.6898  0.8312  0.2591  1
  O  O80  1  0.6933  0.4790  0.4751  1
  O  O81  1  0.7013  0.8421  0.9688  1
  O  O82  1  0.7879  0.1783  0.8012  1
  O  O83  1  0.7965  0.1820  0.0914  1
  O  O84  1  0.8038  0.0347  0.3063  1
  O  O85  1  0.8077  0.0298  0.5902  1
  O  O86  1  0.8197  0.2156  0.6964  1
  O  O87  1  0.8235  0.6933  0.7585  1
  O  O88  1  0.8256  0.9713  0.9080  1
  O  O89  1  0.8265  0.9739  0.1893  1
  O  O90  1  0.8276  0.4763  0.9743  1
  O  O91  1  0.8310  0.6993  0.4741  1
  O  O92  1  0.8507  0.1912  0.4062  1
  O  O93  1  0.8515  0.4615  0.2556  1
  O  O94  1  0.8685  0.6382  0.0737  1
  O  O95  1  0.8705  0.6312  0.3592  1
  O  O96  1  0.8714  0.4878  0.5781  1
  O  O97  1  0.8782  0.4922  0.8590  1
  O  O98  1  0.9672  0.1886  0.9026  1
  O  O99  1  0.9690  0.2144  0.1962  1
  O  O100  1  0.9695  0.8258  0.6934  1
  O  O101  1  0.9754  0.8336  0.4093  1
]