# generated using pymatgen
data_Si216S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.40618400
_cell_length_b   16.40618400
_cell_length_c   16.40618400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si216S
_chemical_formula_sum   'Si216 S1'
_cell_volume   4415.93562766
_cell_formula_units_Z   1
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
  Si  Si1  1  0.274174  0.273992  0.105917  1
  Si  Si2  1  0.250177  0.250572  0.417018  1
  Si  Si3  1  0.249699  0.249592  0.749227  1
  Si  Si4  1  0.250203  0.583782  0.084141  1
  Si  Si5  1  0.250569  0.587047  0.420514  1
  Si  Si6  1  0.249639  0.583478  0.749977  1
  Si  Si7  1  0.249356  0.916107  0.083217  1
  Si  Si8  1  0.249765  0.917613  0.415688  1
  Si  Si9  1  0.249220  0.915096  0.748724  1
  Si  Si10  1  0.583701  0.250485  0.084043  1
  Si  Si11  1  0.585295  0.250755  0.418864  1
  Si  Si12  1  0.583183  0.250007  0.750243  1
  Si  Si13  1  0.583819  0.583835  0.084296  1
  Si  Si14  1  0.583611  0.583872  0.417350  1
  Si  Si15  1  0.583174  0.583407  0.750791  1
  Si  Si16  1  0.583283  0.916645  0.083708  1
  Si  Si17  1  0.582970  0.917087  0.417036  1
  Si  Si18  1  0.582453  0.916482  0.750031  1
  Si  Si19  1  0.916998  0.249017  0.083176  1
  Si  Si20  1  0.916676  0.250257  0.416559  1
  Si  Si21  1  0.912750  0.249881  0.746756  1
  Si  Si22  1  0.917155  0.582734  0.083847  1
  Si  Si23  1  0.916609  0.583357  0.417044  1
  Si  Si24  1  0.916402  0.582573  0.750308  1
  Si  Si25  1  0.910447  0.910858  0.084017  1
  Si  Si26  1  0.916548  0.916758  0.416184  1
  Si  Si27  1  0.915821  0.916012  0.749472  1
  Si  Si28  1  0.989807  0.990511  0.997085  1
  Si  Si29  1  0.999779  0.000237  0.332802  1
  Si  Si30  1  0.999171  0.999204  0.665739  1
  Si  Si31  1  0.002940  0.330798  0.001062  1
  Si  Si32  1  0.000733  0.333136  0.333489  1
  Si  Si33  1  0.999360  0.333064  0.666565  1
  Si  Si34  1  0.999740  0.666352  0.000176  1
  Si  Si35  1  0.999692  0.666817  0.333722  1
  Si  Si36  1  0.999284  0.666031  0.666633  1
  Si  Si37  1  0.333592  0.999844  0.001637  1
  Si  Si38  1  0.331924  0.001670  0.331484  1
  Si  Si39  1  0.332641  0.000092  0.666923  1
  Si  Si40  1  0.338014  0.338962  0.997770  1
  Si  Si41  1  0.335073  0.335052  0.336463  1
  Si  Si42  1  0.333322  0.333366  0.666784  1
  Si  Si43  1  0.333228  0.666930  0.000439  1
  Si  Si44  1  0.333454  0.667858  0.334275  1
  Si  Si45  1  0.332949  0.667415  0.667214  1
  Si  Si46  1  0.666372  0.999827  0.000117  1
  Si  Si47  1  0.666505  0.000074  0.333691  1
  Si  Si48  1  0.665405  0.999568  0.666147  1
  Si  Si49  1  0.666942  0.333485  0.000442  1
  Si  Si50  1  0.667471  0.333573  0.333848  1
  Si  Si51  1  0.666978  0.333300  0.667479  1
  Si  Si52  1  0.666138  0.665537  0.000036  1
  Si  Si53  1  0.666740  0.666982  0.333655  1
  Si  Si54  1  0.666199  0.666565  0.666971  1
  Si  Si55  1  0.248989  0.085982  0.247038  1
  Si  Si56  1  0.249550  0.083277  0.583068  1
  Si  Si57  1  0.252166  0.077740  0.912047  1
  Si  Si58  1  0.252951  0.426148  0.260132  1
  Si  Si59  1  0.249904  0.416891  0.583731  1
  Si  Si60  1  0.248383  0.416925  0.916409  1
  Si  Si61  1  0.249826  0.750397  0.250302  1
  Si  Si62  1  0.249970  0.751210  0.583854  1
  Si  Si63  1  0.249519  0.749800  0.916838  1
  Si  Si64  1  0.583468  0.083652  0.250612  1
  Si  Si65  1  0.582556  0.083398  0.583050  1
  Si  Si66  1  0.583312  0.083398  0.916762  1
  Si  Si67  1  0.584312  0.417534  0.250858  1
  Si  Si68  1  0.583869  0.417139  0.584622  1
  Si  Si69  1  0.583110  0.416660  0.917369  1
  Si  Si70  1  0.583387  0.750750  0.250645  1
  Si  Si71  1  0.582992  0.750218  0.583797  1
  Si  Si72  1  0.582812  0.749344  0.917040  1
  Si  Si73  1  0.916558  0.083606  0.249352  1
  Si  Si74  1  0.916179  0.083150  0.582563  1
  Si  Si75  1  0.913502  0.081674  0.915015  1
  Si  Si76  1  0.917259  0.416511  0.250294  1
  Si  Si77  1  0.916317  0.416686  0.583565  1
  Si  Si78  1  0.918482  0.415080  0.918065  1
  Si  Si79  1  0.916316  0.749805  0.250385  1
  Si  Si80  1  0.916256  0.749761  0.583264  1
  Si  Si81  1  0.915757  0.748838  0.916537  1
  Si  Si82  1  0.000933  0.165454  0.165087  1
  Si  Si83  1  0.999877  0.166623  0.499601  1
  Si  Si84  1  0.993700  0.164738  0.827669  1
  Si  Si85  1  0.001130  0.499304  0.166812  1
  Si  Si86  1  0.999681  0.500075  0.500486  1
  Si  Si87  1  0.999928  0.499394  0.833810  1
  Si  Si88  1  0.999204  0.832871  0.166760  1
  Si  Si89  1  0.999390  0.833246  0.499700  1
  Si  Si90  1  0.998883  0.831729  0.832361  1
  Si  Si91  1  0.342428  0.168858  0.173445  1
  Si  Si92  1  0.333210  0.166903  0.500247  1
  Si  Si93  1  0.333048  0.167126  0.833054  1
  Si  Si94  1  0.334405  0.502210  0.168475  1
  Si  Si95  1  0.333564  0.501067  0.501562  1
  Si  Si96  1  0.332621  0.499865  0.833433  1
  Si  Si97  1  0.333162  0.833584  0.166855  1
  Si  Si98  1  0.332838  0.834404  0.499807  1
  Si  Si99  1  0.332789  0.833690  0.833962  1
  Si  Si100  1  0.666853  0.166781  0.167094  1
  Si  Si101  1  0.667125  0.166432  0.500796  1
  Si  Si102  1  0.666538  0.166610  0.833341  1
  Si  Si103  1  0.667523  0.500296  0.167114  1
  Si  Si104  1  0.666792  0.500138  0.500473  1
  Si  Si105  1  0.666415  0.499702  0.833885  1
  Si  Si106  1  0.666580  0.833258  0.166863  1
  Si  Si107  1  0.666164  0.833373  0.500156  1
  Si  Si108  1  0.665479  0.832636  0.833134  1
  Si  Si109  1  0.084941  0.251228  0.249121  1
  Si  Si110  1  0.082894  0.249951  0.583189  1
  Si  Si111  1  0.076569  0.247940  0.907690  1
  Si  Si112  1  0.083323  0.583801  0.250791  1
  Si  Si113  1  0.083086  0.583501  0.583501  1
  Si  Si114  1  0.083156  0.583105  0.916892  1
  Si  Si115  1  0.083203  0.917455  0.248870  1
  Si  Si116  1  0.082898  0.916424  0.582518  1
  Si  Si117  1  0.081564  0.914521  0.915662  1
  Si  Si118  1  0.422470  0.251975  0.256344  1
  Si  Si119  1  0.416721  0.250116  0.583591  1
  Si  Si120  1  0.417053  0.249574  0.916937  1
  Si  Si121  1  0.417681  0.584996  0.251163  1
  Si  Si122  1  0.416845  0.584101  0.584550  1
  Si  Si123  1  0.416099  0.583054  0.917203  1
  Si  Si124  1  0.416201  0.917341  0.250067  1
  Si  Si125  1  0.416108  0.917049  0.583597  1
  Si  Si126  1  0.416600  0.916935  0.917370  1
  Si  Si127  1  0.750450  0.250093  0.250167  1
  Si  Si128  1  0.749254  0.250308  0.582881  1
  Si  Si129  1  0.749783  0.249807  0.916904  1
  Si  Si130  1  0.750344  0.583483  0.250604  1
  Si  Si131  1  0.749836  0.583372  0.583830  1
  Si  Si132  1  0.750191  0.582334  0.917177  1
  Si  Si133  1  0.749551  0.916627  0.250372  1
  Si  Si134  1  0.749501  0.916557  0.583221  1
  Si  Si135  1  0.748472  0.915664  0.916414  1
  Si  Si136  1  0.165351  0.000791  0.163715  1
  Si  Si137  1  0.166286  0.000169  0.499467  1
  Si  Si138  1  0.165105  0.997075  0.830951  1
  Si  Si139  1  0.171411  0.345572  0.178477  1
  Si  Si140  1  0.166628  0.333532  0.500416  1
  Si  Si141  1  0.166297  0.332258  0.832436  1
  Si  Si142  1  0.166508  0.666934  0.167150  1
  Si  Si143  1  0.166074  0.668945  0.501950  1
  Si  Si144  1  0.166306  0.666495  0.833410  1
  Si  Si145  1  0.500078  0.000296  0.166926  1
  Si  Si146  1  0.499055  0.000227  0.499869  1
  Si  Si147  1  0.499665  0.000142  0.833606  1
  Si  Si148  1  0.501325  0.334326  0.167888  1
  Si  Si149  1  0.501020  0.333763  0.501590  1
  Si  Si150  1  0.499965  0.333316  0.833634  1
  Si  Si151  1  0.500574  0.667684  0.167219  1
  Si  Si152  1  0.499830  0.667086  0.500452  1
  Si  Si153  1  0.499278  0.666412  0.833824  1
  Si  Si154  1  0.832518  0.999572  0.166853  1
  Si  Si155  1  0.833027  0.999641  0.499665  1
  Si  Si156  1  0.830981  0.998763  0.831982  1
  Si  Si157  1  0.834232  0.332949  0.166686  1
  Si  Si158  1  0.833327  0.333303  0.500053  1
  Si  Si159  1  0.833631  0.333129  0.834111  1
  Si  Si160  1  0.833491  0.666182  0.166856  1
  Si  Si161  1  0.832994  0.666535  0.500171  1
  Si  Si162  1  0.832735  0.665728  0.833253  1
  Si  Si163  1  0.071505  0.071114  0.078576  1
  Si  Si164  1  0.083383  0.083766  0.415836  1
  Si  Si165  1  0.082120  0.082412  0.748738  1
  Si  Si166  1  0.086270  0.415959  0.084691  1
  Si  Si167  1  0.083232  0.417142  0.417535  1
  Si  Si168  1  0.083027  0.416407  0.749939  1
  Si  Si169  1  0.082835  0.749771  0.083557  1
  Si  Si170  1  0.083137  0.750562  0.416530  1
  Si  Si171  1  0.082775  0.749023  0.749437  1
  Si  Si172  1  0.417593  0.084488  0.083712  1
  Si  Si173  1  0.415919  0.083569  0.416357  1
  Si  Si174  1  0.416358  0.083426  0.750109  1
  Si  Si175  1  0.419054  0.419635  0.084866  1
  Si  Si176  1  0.418018  0.417964  0.419049  1
  Si  Si177  1  0.416396  0.416617  0.750450  1
  Si  Si178  1  0.416624  0.750242  0.083704  1
  Si  Si179  1  0.416747  0.751003  0.417257  1
  Si  Si180  1  0.416170  0.750325  0.750761  1
  Si  Si181  1  0.749623  0.083152  0.083446  1
  Si  Si182  1  0.749981  0.083472  0.416770  1
  Si  Si183  1  0.748439  0.082947  0.748989  1
  Si  Si184  1  0.750589  0.416530  0.083752  1
  Si  Si185  1  0.750393  0.417051  0.417003  1
  Si  Si186  1  0.750141  0.416507  0.750959  1
  Si  Si187  1  0.748091  0.747783  0.083898  1
  Si  Si188  1  0.749803  0.750174  0.417037  1
  Si  Si189  1  0.749530  0.749631  0.750162  1
  Si  Si190  1  0.144059  0.142768  0.975917  1
  Si  Si191  1  0.166897  0.167703  0.333060  1
  Si  Si192  1  0.165973  0.166268  0.666364  1
  Si  Si193  1  0.166830  0.500610  0.000699  1
  Si  Si194  1  0.166048  0.505790  0.339528  1
  Si  Si195  1  0.166285  0.500083  0.666755  1
  Si  Si196  1  0.165865  0.832948  0.999890  1
  Si  Si197  1  0.166145  0.834025  0.332864  1
  Si  Si198  1  0.165729  0.832888  0.666212  1
  Si  Si199  1  0.500832  0.167141  0.000347  1
  Si  Si200  1  0.503300  0.166790  0.337278  1
  Si  Si201  1  0.499851  0.166688  0.666886  1
  Si  Si202  1  0.501315  0.501636  0.000778  1
  Si  Si203  1  0.500536  0.500677  0.334184  1
  Si  Si204  1  0.499962  0.500255  0.667572  1
  Si  Si205  1  0.500035  0.833291  0.000315  1
  Si  Si206  1  0.499716  0.834162  0.333589  1
  Si  Si207  1  0.499194  0.833340  0.666858  1
  Si  Si208  1  0.833009  0.166165  0.999931  1
  Si  Si209  1  0.833482  0.166523  0.333408  1
  Si  Si210  1  0.831148  0.165957  0.664709  1
  Si  Si211  1  0.834315  0.499135  0.000252  1
  Si  Si212  1  0.833808  0.499980  0.333493  1
  Si  Si213  1  0.832965  0.499676  0.667039  1
  Si  Si214  1  0.829503  0.829657  0.999395  1
  Si  Si215  1  0.833028  0.833322  0.333417  1
  Si  Si216  1  0.832593  0.832840  0.666409  1
  S  S217  1  0.164654  0.208276  0.085476  1
