data_[Hf6Ga6Si3S15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  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 [8.6615]
_cell_length_b [8.7171]
_cell_length_c [22.6537]
_cell_angle_alpha [89.9482]
_cell_angle_beta [89.6274]
_cell_angle_gamma [60.3936]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Hf2Ga2SiS5O24]
_chemical_formula_sum '[Hf6 Ga6 Si3 S15 O72]'
_cell_volume [1487.0815]
_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
[
  Hf  Hf0  1  0.0003  0.0060  0.1406  1
  Hf  Hf1  1  0.3496  0.3237  0.4756  1
  Hf  Hf2  1  0.6666  0.6726  0.3100  1
  Hf  Hf3  1  0.6690  0.6683  0.5224  1
  Hf  Hf4  1  0.6753  0.6608  0.0216  1
  Hf  Hf5  1  0.9917  0.0049  0.6463  1
  Ga  Ga6  1  0.0020  0.0008  0.8515  1
  Ga  Ga7  1  0.3230  0.3381  0.1860  1
  Ga  Ga8  1  0.3283  0.3275  0.9774  1
  Ga  Ga9  1  0.3384  0.3399  0.6890  1
  Ga  Ga10  1  0.6650  0.6659  0.8148  1
  Ga  Ga11  1  0.9927  0.0007  0.3536  1
  Si  Si12  1  0.0615  0.3360  0.0826  1
  Si  Si13  1  0.6126  0.3393  0.5877  1
  Si  Si14  1  0.6803  0.9543  0.4150  1
  S  S15  1  0.0022  0.2953  0.7529  1
  S  S16  1  0.0160  0.7044  0.2498  1
  S  S17  1  0.0511  0.6131  0.5870  1
  S  S18  1  0.2804  0.0087  0.2514  1
  S  S19  1  0.2934  0.7074  0.7540  1
  S  S20  1  0.3335  0.0512  0.5864  1
  S  S21  1  0.3353  0.6103  0.0827  1
  S  S22  1  0.3693  0.6782  0.4145  1
  S  S23  1  0.3741  0.9584  0.9133  1
  S  S24  1  0.6104  0.0550  0.0822  1
  S  S25  1  0.6647  0.3717  0.9144  1
  S  S26  1  0.7004  0.2847  0.2487  1
  S  S27  1  0.7058  0.9971  0.7548  1
  S  S28  1  0.9537  0.3714  0.4145  1
  S  S29  1  0.9601  0.6697  0.9126  1
  O  O30  1  0.0330  0.1648  0.0924  1
  O  O31  1  0.0376  0.1797  0.8054  1
  O  O32  1  0.0376  0.7887  0.5961  1
  O  O33  1  0.0397  0.7894  0.3024  1
  O  O34  1  0.1239  0.3657  0.4236  1
  O  O35  1  0.1240  0.5039  0.6399  1
  O  O36  1  0.1358  0.3733  0.1425  1
  O  O37  1  0.1375  0.5159  0.9216  1
  O  O38  1  0.1554  0.5369  0.5331  1
  O  O39  1  0.1606  0.3140  0.7420  1
  O  O40  1  0.1689  0.0369  0.3043  1
  O  O41  1  0.1752  0.7857  0.0925  1
  O  O42  1  0.1764  0.5308  0.2437  1
  O  O43  1  0.1770  0.2963  0.0230  1
  O  O44  1  0.1777  0.7927  0.8067  1
  O  O45  1  0.1779  0.0244  0.5948  1
  O  O46  1  0.1952  0.9779  0.9054  1
  O  O47  1  0.1978  0.9789  0.1986  1
  O  O48  1  0.2025  0.8408  0.4050  1
  O  O49  1  0.2140  0.8196  0.7014  1
  O  O50  1  0.2954  0.1612  0.5331  1
  O  O51  1  0.3047  0.5335  0.7474  1
  O  O52  1  0.3050  0.5346  0.0294  1
  O  O53  1  0.3090  0.1596  0.2440  1
  O  O54  1  0.3395  0.5263  0.4227  1
  O  O55  1  0.3605  0.1305  0.6397  1
  O  O56  1  0.3627  0.1326  0.9202  1
  O  O57  1  0.3773  0.5020  0.1363  1
  O  O58  1  0.4542  0.8463  0.9660  1
  O  O59  1  0.4549  0.7005  0.4675  1
  O  O60  1  0.4551  0.8427  0.2570  1
  O  O61  1  0.4724  0.6881  0.7620  1
  O  O62  1  0.4877  0.6424  0.0732  1
  O  O63  1  0.4886  0.6344  0.3622  1
  O  O64  1  0.4897  0.8737  0.8607  1
  O  O65  1  0.4908  0.8770  0.5770  1
  O  O66  1  0.4947  0.3709  0.6462  1
  O  O67  1  0.4981  0.1425  0.4211  1
  O  O68  1  0.5057  0.3533  0.9256  1
  O  O69  1  0.5059  0.1288  0.1365  1
  O  O70  1  0.5241  0.3027  0.2388  1
  O  O71  1  0.5287  0.1505  0.7459  1
  O  O72  1  0.5289  0.3032  0.5286  1
  O  O73  1  0.5438  0.1652  0.0294  1
  O  O74  1  0.6251  0.8795  0.0725  1
  O  O75  1  0.6287  0.4873  0.8620  1
  O  O76  1  0.6379  0.5072  0.5748  1
  O  O77  1  0.6473  0.8576  0.3577  1
  O  O78  1  0.6838  0.4608  0.2559  1
  O  O79  1  0.6951  0.8336  0.7624  1
  O  O80  1  0.6975  0.4562  0.9668  1
  O  O81  1  0.7037  0.8331  0.4721  1
  O  O82  1  0.7806  0.1758  0.3014  1
  O  O83  1  0.7888  0.0333  0.8064  1
  O  O84  1  0.7945  0.0228  0.0913  1
  O  O85  1  0.8073  0.1637  0.5970  1
  O  O86  1  0.8168  0.2024  0.1960  1
  O  O87  1  0.8225  0.9644  0.7018  1
  O  O88  1  0.8246  0.1975  0.9058  1
  O  O89  1  0.8388  0.4501  0.4673  1
  O  O90  1  0.8417  0.4696  0.7615  1
  O  O91  1  0.8437  0.7016  0.9657  1
  O  O92  1  0.8521  0.9744  0.4053  1
  O  O93  1  0.8580  0.6791  0.2566  1
  O  O94  1  0.8626  0.5058  0.0715  1
  O  O95  1  0.8688  0.4829  0.3619  1
  O  O96  1  0.8702  0.6401  0.5793  1
  O  O97  1  0.8776  0.6330  0.8610  1
  O  O98  1  0.9691  0.2108  0.7007  1
  O  O99  1  0.9712  0.8327  0.9049  1
  O  O100  1  0.9795  0.1949  0.4052  1
  O  O101  1  0.9807  0.8155  0.1970  1
]