data_[In6Si3Ge6S15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [8.6459]
_cell_length_b [8.6625]
_cell_length_c [22.4472]
_cell_angle_alpha [89.3619]
_cell_angle_beta [89.8702]
_cell_angle_gamma [60.3394]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [In2SiGe2S5O24]
_chemical_formula_sum '[In6 Si3 Ge6 S15 O72]'
_cell_volume [1460.8055]
_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
[
  In  In0  1  0.0019  0.0032  0.8582  1
  In  In1  1  0.3250  0.3336  0.1820  1
  In  In2  1  0.3264  0.3300  0.9871  1
  In  In3  1  0.3417  0.3371  0.6802  1
  In  In4  1  0.6652  0.6632  0.8075  1
  In  In5  1  0.9881  0.0023  0.3613  1
  Si  Si6  1  0.0259  0.3337  0.0841  1
  Si  Si7  1  0.6334  0.3384  0.5819  1
  Si  Si8  1  0.6545  0.9497  0.4191  1
  Ge  Ge9  1  0.0012  0.0043  0.1476  1
  Ge  Ge10  1  0.3679  0.3111  0.4789  1
  Ge  Ge11  1  0.6623  0.6763  0.3165  1
  Ge  Ge12  1  0.6740  0.6599  0.0213  1
  Ge  Ge13  1  0.6746  0.6630  0.5205  1
  Ge  Ge14  1  0.9917  0.0066  0.6413  1
  S  S15  1  0.0037  0.2844  0.7462  1
  S  S16  1  0.0384  0.6307  0.5810  1
  S  S17  1  0.2776  0.7203  0.7463  1
  S  S18  1  0.2976  0.9855  0.2522  1
  S  S19  1  0.3319  0.0347  0.5820  1
  S  S20  1  0.3333  0.6426  0.0836  1
  S  S21  1  0.3883  0.9483  0.9195  1
  S  S22  1  0.3892  0.6548  0.4182  1
  S  S23  1  0.6431  0.0240  0.0838  1
  S  S24  1  0.6621  0.3809  0.9196  1
  S  S25  1  0.7066  0.3037  0.2505  1
  S  S26  1  0.7169  0.9993  0.7476  1
  S  S27  1  0.9516  0.6672  0.9181  1
  S  S28  1  0.9597  0.3900  0.4186  1
  S  S29  1  0.9919  0.7142  0.2500  1
  O  O30  1  0.0069  0.1548  0.0977  1
  O  O31  1  0.0208  0.7958  0.3022  1
  O  O32  1  0.0240  0.8094  0.5897  1
  O  O33  1  0.0319  0.1843  0.8025  1
  O  O34  1  0.0984  0.3857  0.1420  1
  O  O35  1  0.1012  0.5226  0.6359  1
  O  O36  1  0.1292  0.5128  0.9244  1
  O  O37  1  0.1317  0.3850  0.4276  1
  O  O38  1  0.1472  0.2797  0.0252  1
  O  O39  1  0.1480  0.5411  0.2432  1
  O  O40  1  0.1551  0.5493  0.5288  1
  O  O41  1  0.1625  0.3035  0.7387  1
  O  O42  1  0.1690  0.8166  0.0955  1
  O  O43  1  0.1709  0.0132  0.5899  1
  O  O44  1  0.1787  0.7968  0.8016  1
  O  O45  1  0.1869  0.0163  0.3051  1
  O  O46  1  0.1918  0.8350  0.6916  1
  O  O47  1  0.2111  0.9613  0.9179  1
  O  O48  1  0.2150  0.9549  0.1974  1
  O  O49  1  0.2193  0.8156  0.4108  1
  O  O50  1  0.2870  0.1599  0.5296  1
  O  O51  1  0.2902  0.5457  0.7423  1
  O  O52  1  0.2953  0.5708  0.0302  1
  O  O53  1  0.3297  0.1342  0.2443  1
  O  O54  1  0.3630  0.4970  0.4254  1
  O  O55  1  0.3680  0.1041  0.6362  1
  O  O56  1  0.3768  0.1215  0.9242  1
  O  O57  1  0.3830  0.5246  0.1362  1
  O  O58  1  0.4553  0.7063  0.7483  1
  O  O59  1  0.4701  0.1433  0.4258  1
  O  O60  1  0.4739  0.8132  0.2579  1
  O  O61  1  0.4742  0.6807  0.4705  1
  O  O62  1  0.4750  0.8330  0.9739  1
  O  O63  1  0.4843  0.6765  0.0728  1
  O  O64  1  0.4873  0.8573  0.5719  1
  O  O65  1  0.4881  0.8700  0.8644  1
  O  O66  1  0.5034  0.6117  0.3623  1
  O  O67  1  0.5037  0.3622  0.9278  1
  O  O68  1  0.5166  0.3908  0.6410  1
  O  O69  1  0.5291  0.3271  0.2405  1
  O  O70  1  0.5314  0.0975  0.1369  1
  O  O71  1  0.5382  0.1545  0.7418  1
  O  O72  1  0.5402  0.2926  0.5250  1
  O  O73  1  0.5772  0.1412  0.0309  1
  O  O74  1  0.6164  0.8655  0.3577  1
  O  O75  1  0.6336  0.4819  0.8634  1
  O  O76  1  0.6536  0.8502  0.0726  1
  O  O77  1  0.6576  0.5101  0.5664  1
  O  O78  1  0.6846  0.8241  0.4771  1
  O  O79  1  0.6892  0.4704  0.9720  1
  O  O80  1  0.6962  0.4827  0.2588  1
  O  O81  1  0.7064  0.8340  0.7501  1
  O  O82  1  0.7818  0.1936  0.3041  1
  O  O83  1  0.7924  0.0262  0.8022  1
  O  O84  1  0.8231  0.2222  0.1969  1
  O  O85  1  0.8252  0.6996  0.2563  1
  O  O86  1  0.8260  0.2064  0.9169  1
  O  O87  1  0.8272  0.9930  0.0949  1
  O  O88  1  0.8283  0.5076  0.0713  1
  O  O89  1  0.8285  0.9686  0.4167  1
  O  O90  1  0.8294  0.1586  0.5916  1
  O  O91  1  0.8309  0.9725  0.6936  1
  O  O92  1  0.8360  0.6948  0.9718  1
  O  O93  1  0.8400  0.4596  0.7493  1
  O  O94  1  0.8409  0.4655  0.4705  1
  O  O95  1  0.8562  0.6561  0.5726  1
  O  O96  1  0.8747  0.6406  0.8636  1
  O  O97  1  0.8795  0.5007  0.3618  1
  O  O98  1  0.9570  0.8311  0.1943  1
  O  O99  1  0.9608  0.8331  0.9159  1
  O  O100  1  0.9755  0.1961  0.6936  1
  O  O101  1  0.9824  0.2130  0.4115  1
]