data_[Ta6Si9Ge6S9O72]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [8.6518]
_cell_length_b [8.6687]
_cell_length_c [22.4167]
_cell_angle_alpha [88.9287]
_cell_angle_beta [89.1285]
_cell_angle_gamma [60.4488]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ta2Si3Ge2(SO8)3]
_chemical_formula_sum '[Ta6 Si9 Ge6 S9 O72]'
_cell_volume [1462.2532]
_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  0.0127  0.9851  0.8613  1
  Ta  Ta1  1  0.3315  0.3322  0.6913  1
  Ta  Ta2  1  0.3449  0.3227  0.1948  1
  Ta  Ta3  1  0.6568  0.6654  0.0259  1
  Ta  Ta4  1  0.6756  0.6664  0.5221  1
  Ta  Ta5  1  0.9911  0.9903  0.3587  1
  Si  Si6  1  0.3005  0.7154  0.2517  1
  Si  Si7  1  0.3158  0.0590  0.0834  1
  Si  Si8  1  0.3988  0.6428  0.9161  1
  Si  Si9  1  0.6148  0.0567  0.5805  1
  Si  Si10  1  0.6689  0.3877  0.4142  1
  Si  Si11  1  0.7318  0.9796  0.2479  1
  Si  Si12  1  0.9562  0.3825  0.9179  1
  Si  Si13  1  0.9667  0.6416  0.4144  1
  Si  Si14  1  0.9818  0.7185  0.7511  1
  Ge  Ge15  1  0.0270  0.9807  0.1512  1
  Ge  Ge16  1  0.3069  0.3433  0.9774  1
  Ge  Ge17  1  0.3577  0.3224  0.4679  1
  Ge  Ge18  1  0.6757  0.6583  0.3092  1
  Ge  Ge19  1  0.6875  0.6501  0.8184  1
  Ge  Ge20  1  0.9764  0.9912  0.6428  1
  S  S21  1  0.0479  0.3210  0.5852  1
  S  S22  1  0.0486  0.6257  0.0831  1
  S  S23  1  0.2875  0.9902  0.7484  1
  S  S24  1  0.3224  0.6305  0.5838  1
  S  S25  1  0.3817  0.9567  0.4167  1
  S  S26  1  0.6244  0.3209  0.0830  1
  S  S27  1  0.6567  0.9576  0.9168  1
  S  S28  1  0.7178  0.2893  0.7490  1
  S  S29  1  0.9930  0.2881  0.2493  1
  O  O30  1  0.0218  0.8105  0.8069  1
  O  O31  1  0.0274  0.8039  0.0890  1
  O  O32  1  0.0312  0.1605  0.5976  1
  O  O33  1  0.0322  0.1771  0.3030  1
  O  O34  1  0.1268  0.5111  0.1355  1
  O  O35  1  0.1280  0.3579  0.6388  1
  O  O36  1  0.1400  0.0373  0.0938  1
  O  O37  1  0.1516  0.3583  0.9244  1
  O  O38  1  0.1534  0.3107  0.2411  1
  O  O39  1  0.1537  0.4717  0.4339  1
  O  O40  1  0.1537  0.2935  0.5318  1
  O  O41  1  0.1570  0.5240  0.7381  1
  O  O42  1  0.1592  0.5506  0.0276  1
  O  O43  1  0.1679  0.8109  0.3081  1
  O  O44  1  0.1685  0.8118  0.5944  1
  O  O45  1  0.1712  0.0306  0.8024  1
  O  O46  1  0.2017  0.8210  0.9063  1
  O  O47  1  0.2041  0.9689  0.6948  1
  O  O48  1  0.2043  0.9763  0.4112  1
  O  O49  1  0.2169  0.8349  0.1912  1
  O  O50  1  0.2862  0.5570  0.5316  1
  O  O51  1  0.2985  0.1781  0.0234  1
  O  O52  1  0.3013  0.1579  0.7416  1
  O  O53  1  0.3062  0.5266  0.2375  1
  O  O54  1  0.3511  0.5148  0.6383  1
  O  O55  1  0.3521  0.1499  0.1401  1
  O  O56  1  0.3600  0.1354  0.4261  1
  O  O57  1  0.3746  0.4742  0.9318  1
  O  O58  1  0.4609  0.8440  0.4719  1
  O  O59  1  0.4640  0.8406  0.7576  1
  O  O60  1  0.4761  0.6950  0.9734  1
  O  O61  1  0.4853  0.6440  0.5789  1
  O  O62  1  0.4934  0.8851  0.3639  1
  O  O63  1  0.4941  0.6895  0.2616  1
  O  O64  1  0.4944  0.8642  0.0720  1
  O  O65  1  0.4949  0.1490  0.6406  1
  O  O66  1  0.4958  0.3631  0.4219  1
  O  O67  1  0.5066  0.1343  0.9246  1
  O  O68  1  0.5072  0.3622  0.1365  1
  O  O69  1  0.5105  0.1853  0.5242  1
  O  O70  1  0.5111  0.6302  0.8548  1
  O  O71  1  0.5345  0.1581  0.2391  1
  O  O72  1  0.5358  0.3069  0.7406  1
  O  O73  1  0.5415  0.3006  0.0293  1
  O  O74  1  0.6266  0.8795  0.8626  1
  O  O75  1  0.6309  0.5158  0.3574  1
  O  O76  1  0.6344  0.8618  0.5736  1
  O  O77  1  0.6385  0.4894  0.0776  1
  O  O78  1  0.6882  0.4792  0.4757  1
  O  O79  1  0.6922  0.4689  0.7552  1
  O  O80  1  0.6989  0.8414  0.9699  1
  O  O81  1  0.7042  0.8135  0.2610  1
  O  O82  1  0.7925  0.1759  0.8019  1
  O  O83  1  0.8007  0.1711  0.0915  1
  O  O84  1  0.8031  0.7030  0.7617  1
  O  O85  1  0.8059  0.0320  0.3066  1
  O  O86  1  0.8105  0.0392  0.5897  1
  O  O87  1  0.8211  0.9739  0.9079  1
  O  O88  1  0.8278  0.2122  0.6942  1
  O  O89  1  0.8306  0.4756  0.9754  1
  O  O90  1  0.8365  0.6925  0.4748  1
  O  O91  1  0.8380  0.4655  0.2546  1
  O  O92  1  0.8465  0.1960  0.4071  1
  O  O93  1  0.8474  0.9660  0.1874  1
  O  O94  1  0.8681  0.4824  0.5800  1
  O  O95  1  0.8685  0.6221  0.3574  1
  O  O96  1  0.8704  0.6415  0.0742  1
  O  O97  1  0.8775  0.5022  0.8576  1
  O  O98  1  0.9574  0.8390  0.6910  1
  O  O99  1  0.9638  0.2101  0.1953  1
  O  O100  1  0.9700  0.1907  0.9038  1
  O  O101  1  0.9843  0.8208  0.4100  1
]