data_[Al6Si3Ge6S15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  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 [8.3130]
_cell_length_b [8.3313]
_cell_length_c [21.6203]
_cell_angle_alpha [89.8156]
_cell_angle_beta [89.4305]
_cell_angle_gamma [60.1087]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Al2SiGe2S5O24]
_chemical_formula_sum '[Al6 Si3 Ge6 S15 O72]'
_cell_volume [1298.1213]
_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
[
  Al  Al0  1  0.0001  0.0066  0.6427  1
  Al  Al1  1  0.3339  0.3339  0.1880  1
  Al  Al2  1  0.6626  0.6607  0.3130  1
  Al  Al3  1  0.6641  0.6764  0.8138  1
  Al  Al4  1  0.6698  0.6730  0.0198  1
  Al  Al5  1  0.9995  0.9992  0.1451  1
  Si  Si6  1  0.0459  0.3315  0.5827  1
  Si  Si7  1  0.6614  0.3790  0.4147  1
  Si  Si8  1  0.6664  0.9515  0.9167  1
  Ge  Ge9  1  0.3241  0.3361  0.6854  1
  Ge  Ge10  1  0.3342  0.3289  0.4781  1
  Ge  Ge11  1  0.3397  0.3262  0.9774  1
  Ge  Ge12  1  0.6822  0.6430  0.5216  1
  Ge  Ge13  1  0.9935  0.9996  0.8557  1
  Ge  Ge14  1  0.9946  0.0074  0.3558  1
  S  S15  1  0.0003  0.7115  0.7485  1
  S  S16  1  0.0005  0.2903  0.2484  1
  S  S17  1  0.0454  0.6201  0.0841  1
  S  S18  1  0.2879  0.7131  0.2491  1
  S  S19  1  0.2896  0.9962  0.7499  1
  S  S20  1  0.3306  0.6259  0.5841  1
  S  S21  1  0.3327  0.0431  0.0850  1
  S  S22  1  0.3800  0.6673  0.9168  1
  S  S23  1  0.3821  0.9505  0.4158  1
  S  S24  1  0.6240  0.3354  0.0842  1
  S  S25  1  0.6255  0.0401  0.5835  1
  S  S26  1  0.7072  0.2936  0.7490  1
  S  S27  1  0.7095  0.9980  0.2491  1
  S  S28  1  0.9532  0.3804  0.9166  1
  S  S29  1  0.9540  0.6675  0.4146  1
  O  O30  1  0.0276  0.8034  0.0926  1
  O  O31  1  0.0284  0.1534  0.5933  1
  O  O32  1  0.0418  0.7884  0.8049  1
  O  O33  1  0.0447  0.1697  0.3046  1
  O  O34  1  0.1306  0.3797  0.6437  1
  O  O35  1  0.1324  0.5013  0.1385  1
  O  O36  1  0.1363  0.5011  0.4218  1
  O  O37  1  0.1365  0.3673  0.9246  1
  O  O38  1  0.1639  0.8022  0.5945  1
  O  O39  1  0.1658  0.5424  0.0268  1
  O  O40  1  0.1660  0.0266  0.0940  1
  O  O41  1  0.1672  0.3067  0.2394  1
  O  O42  1  0.1677  0.7910  0.3064  1
  O  O43  1  0.1689  0.0398  0.8074  1
  O  O44  1  0.1732  0.5269  0.7438  1
  O  O45  1  0.1785  0.2942  0.5218  1
  O  O46  1  0.1969  0.8364  0.9088  1
  O  O47  1  0.1970  0.9664  0.4084  1
  O  O48  1  0.2010  0.8320  0.1948  1
  O  O49  1  0.2031  0.9655  0.6961  1
  O  O50  1  0.2882  0.1639  0.0288  1
  O  O51  1  0.2946  0.5469  0.5286  1
  O  O52  1  0.3057  0.5298  0.2407  1
  O  O53  1  0.3107  0.1631  0.7442  1
  O  O54  1  0.3528  0.5051  0.9247  1
  O  O55  1  0.3615  0.1361  0.4213  1
  O  O56  1  0.3681  0.1291  0.1388  1
  O  O57  1  0.3808  0.5032  0.6402  1
  O  O58  1  0.4569  0.8411  0.4732  1
  O  O59  1  0.4593  0.6972  0.9729  1
  O  O60  1  0.4682  0.7007  0.2565  1
  O  O61  1  0.4700  0.8298  0.7574  1
  O  O62  1  0.4813  0.3563  0.4275  1
  O  O63  1  0.4862  0.1592  0.9257  1
  O  O64  1  0.4930  0.6512  0.5770  1
  O  O65  1  0.4952  0.6263  0.8608  1
  O  O66  1  0.4955  0.8597  0.0763  1
  O  O67  1  0.4974  0.8727  0.3602  1
  O  O68  1  0.5033  0.3700  0.1391  1
  O  O69  1  0.5070  0.1198  0.6406  1
  O  O70  1  0.5202  0.3107  0.7413  1
  O  O71  1  0.5269  0.1638  0.2399  1
  O  O72  1  0.5460  0.2942  0.0284  1
  O  O73  1  0.5511  0.1600  0.5283  1
  O  O74  1  0.6266  0.5051  0.3557  1
  O  O75  1  0.6287  0.8675  0.8558  1
  O  O76  1  0.6333  0.8618  0.5745  1
  O  O77  1  0.6405  0.5006  0.0741  1
  O  O78  1  0.6902  0.4751  0.7593  1
  O  O79  1  0.6930  0.8330  0.2591  1
  O  O80  1  0.7045  0.8293  0.9777  1
  O  O81  1  0.7051  0.4613  0.4764  1
  O  O82  1  0.7837  0.1762  0.8055  1
  O  O83  1  0.7874  0.0392  0.3050  1
  O  O84  1  0.8064  0.1697  0.0935  1
  O  O85  1  0.8071  0.0194  0.5937  1
  O  O86  1  0.8255  0.2069  0.6948  1
  O  O87  1  0.8304  0.9633  0.1943  1
  O  O88  1  0.8370  0.7148  0.4717  1
  O  O89  1  0.8376  0.4734  0.2571  1
  O  O90  1  0.8381  0.4543  0.9727  1
  O  O91  1  0.8388  0.6879  0.7569  1
  O  O92  1  0.8448  0.1748  0.4074  1
  O  O93  1  0.8477  0.9783  0.9079  1
  O  O94  1  0.8488  0.5214  0.5772  1
  O  O95  1  0.8652  0.6322  0.0767  1
  O  O96  1  0.8707  0.6377  0.3598  1
  O  O97  1  0.8742  0.4903  0.8605  1
  O  O98  1  0.9651  0.2043  0.1946  1
  O  O99  1  0.9685  0.8292  0.6944  1
  O  O100  1  0.9790  0.8309  0.4076  1
  O  O101  1  0.9804  0.1915  0.9088  1
]