data_[Mg6Ta6Si3S15O72]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  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 [8.7744]
_cell_length_b [8.7812]
_cell_length_c [22.5765]
_cell_angle_alpha [89.9801]
_cell_angle_beta [89.9736]
_cell_angle_gamma [60.0372]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg2Ta2SiS5O24]
_chemical_formula_sum '[Mg6 Ta6 Si3 S15 O72]'
_cell_volume [1507.0187]
_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
[
  Mg  Mg0  1  0.0015  0.0010  0.1477  1
  Mg  Mg1  1  0.0032  0.9979  0.6430  1
  Mg  Mg2  1  0.0065  0.9976  0.3565  1
  Mg  Mg3  1  0.3319  0.3315  0.9781  1
  Mg  Mg4  1  0.6604  0.6764  0.3114  1
  Mg  Mg5  1  0.6708  0.6641  0.8118  1
  Ta  Ta6  1  0.0016  0.0039  0.8588  1
  Ta  Ta7  1  0.3293  0.3404  0.4735  1
  Ta  Ta8  1  0.3338  0.3291  0.1921  1
  Ta  Ta9  1  0.3339  0.3408  0.6898  1
  Ta  Ta10  1  0.6503  0.6746  0.5209  1
  Ta  Ta11  1  0.6750  0.6559  0.0223  1
  Si  Si12  1  0.3260  0.6297  0.5828  1
  Si  Si13  1  0.3694  0.9560  0.4107  1
  Si  Si14  1  0.9636  0.3864  0.9126  1
  S  S15  1  0.0476  0.3336  0.5833  1
  S  S16  1  0.0490  0.6238  0.0831  1
  S  S17  1  0.2896  0.9966  0.7495  1
  S  S18  1  0.2899  0.7147  0.2487  1
  S  S19  1  0.3313  0.0460  0.0827  1
  S  S20  1  0.3829  0.6629  0.9159  1
  S  S21  1  0.6201  0.0490  0.5837  1
  S  S22  1  0.6203  0.3299  0.0826  1
  S  S23  1  0.6637  0.9542  0.9156  1
  S  S24  1  0.6711  0.3775  0.4153  1
  S  S25  1  0.7158  0.2859  0.7488  1
  S  S26  1  0.7199  0.9929  0.2491  1
  S  S27  1  0.9476  0.6710  0.4154  1
  S  S28  1  0.9904  0.2920  0.2494  1
  S  S29  1  0.9935  0.7165  0.7489  1
  O  O30  1  0.0190  0.7990  0.0942  1
  O  O31  1  0.0262  0.1838  0.5930  1
  O  O32  1  0.0341  0.7900  0.8027  1
  O  O33  1  0.0359  0.1803  0.3015  1
  O  O34  1  0.1263  0.5063  0.1364  1
  O  O35  1  0.1306  0.5083  0.4268  1
  O  O36  1  0.1374  0.3598  0.6373  1
  O  O37  1  0.1525  0.3456  0.9283  1
  O  O38  1  0.1539  0.5434  0.0310  1
  O  O39  1  0.1601  0.5314  0.7410  1
  O  O40  1  0.1604  0.3105  0.2376  1
  O  O41  1  0.1614  0.3041  0.5309  1
  O  O42  1  0.1636  0.8131  0.5929  1
  O  O43  1  0.1714  0.0291  0.8040  1
  O  O44  1  0.1780  0.7788  0.3009  1
  O  O45  1  0.1804  0.9799  0.4113  1
  O  O46  1  0.1822  0.0217  0.0941  1
  O  O47  1  0.2003  0.8276  0.9080  1
  O  O48  1  0.2056  0.9736  0.6980  1
  O  O49  1  0.2097  0.8169  0.1952  1
  O  O50  1  0.3024  0.1612  0.7427  1
  O  O51  1  0.3080  0.1532  0.0313  1
  O  O52  1  0.3083  0.5270  0.2360  1
  O  O53  1  0.3144  0.5150  0.5282  1
  O  O54  1  0.3582  0.1456  0.4324  1
  O  O55  1  0.3596  0.5154  0.9279  1
  O  O56  1  0.3650  0.1299  0.1367  1
  O  O57  1  0.3654  0.4904  0.6414  1
  O  O58  1  0.4588  0.7062  0.9700  1
  O  O59  1  0.4621  0.8486  0.7612  1
  O  O60  1  0.4690  0.6775  0.2561  1
  O  O61  1  0.4780  0.8315  0.4738  1
  O  O62  1  0.4831  0.6444  0.8630  1
  O  O63  1  0.4960  0.8682  0.0752  1
  O  O64  1  0.5018  0.1267  0.6375  1
  O  O65  1  0.5043  0.3644  0.1359  1
  O  O66  1  0.5072  0.3627  0.4273  1
  O  O67  1  0.5078  0.8727  0.3595  1
  O  O68  1  0.5160  0.6260  0.5744  1
  O  O69  1  0.5250  0.1297  0.9280  1
  O  O70  1  0.5298  0.1618  0.2377  1
  O  O71  1  0.5321  0.1571  0.5311  1
  O  O72  1  0.5374  0.2920  0.7426  1
  O  O73  1  0.5397  0.3081  0.0300  1
  O  O74  1  0.6286  0.5015  0.0757  1
  O  O75  1  0.6331  0.8787  0.8633  1
  O  O76  1  0.6335  0.4879  0.3639  1
  O  O77  1  0.6402  0.8703  0.5760  1
  O  O78  1  0.6809  0.4626  0.7580  1
  O  O79  1  0.6895  0.8464  0.2545  1
  O  O80  1  0.6960  0.4638  0.4705  1
  O  O81  1  0.6993  0.8374  0.9697  1
  O  O82  1  0.7848  0.0374  0.3019  1
  O  O83  1  0.7876  0.0366  0.5930  1
  O  O84  1  0.7965  0.1857  0.0930  1
  O  O85  1  0.7981  0.1690  0.8026  1
  O  O86  1  0.8183  0.9787  0.1953  1
  O  O87  1  0.8188  0.2022  0.4110  1
  O  O88  1  0.8207  0.2035  0.6966  1
  O  O89  1  0.8250  0.4770  0.9737  1
  O  O90  1  0.8348  0.9600  0.9067  1
  O  O91  1  0.8456  0.6902  0.7572  1
  O  O92  1  0.8459  0.6853  0.4710  1
  O  O93  1  0.8475  0.4705  0.2576  1
  O  O94  1  0.8594  0.4971  0.8577  1
  O  O95  1  0.8654  0.6403  0.0750  1
  O  O96  1  0.8790  0.4982  0.5757  1
  O  O97  1  0.8812  0.6256  0.3639  1
  O  O98  1  0.9680  0.8231  0.4104  1
  O  O99  1  0.9691  0.1871  0.9049  1
  O  O100  1  0.9707  0.2131  0.1953  1
  O  O101  1  0.9744  0.8206  0.6968  1
]