# generated using pymatgen
data_Si216As
_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   Si216As
_chemical_formula_sum   'Si216 As1'
_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  0.252963  0.249654  0.082988  1
  Si  Si2  1  0.251355  0.250526  0.417901  1
  Si  Si3  1  0.250551  0.249822  0.749392  1
  Si  Si4  1  0.251354  0.584567  0.083859  1
  Si  Si5  1  0.249965  0.583877  0.417214  1
  Si  Si6  1  0.249910  0.583160  0.750024  1
  Si  Si7  1  0.250551  0.916059  0.083155  1
  Si  Si8  1  0.249911  0.916691  0.416493  1
  Si  Si9  1  0.249909  0.917029  0.750363  1
  Si  Si10  1  0.583035  0.250060  0.083394  1
  Si  Si11  1  0.583120  0.250121  0.417024  1
  Si  Si12  1  0.583032  0.250055  0.749592  1
  Si  Si13  1  0.583120  0.583691  0.083454  1
  Si  Si14  1  0.583438  0.583208  0.416541  1
  Si  Si15  1  0.583427  0.583220  0.750016  1
  Si  Si16  1  0.583032  0.916258  0.083389  1
  Si  Si17  1  0.583427  0.916681  0.416554  1
  Si  Si18  1  0.583360  0.916777  0.750113  1
  Si  Si19  1  0.905688  0.247742  0.081076  1
  Si  Si20  1  0.916020  0.249959  0.417953  1
  Si  Si21  1  0.916623  0.249958  0.749570  1
  Si  Si22  1  0.916020  0.584620  0.083293  1
  Si  Si23  1  0.916567  0.582807  0.416137  1
  Si  Si24  1  0.916588  0.584015  0.749272  1
  Si  Si25  1  0.916624  0.916237  0.083289  1
  Si  Si26  1  0.916588  0.915939  0.417349  1
  Si  Si27  1  0.916698  0.916214  0.749548  1
  Si  Si28  1  0.999978  0.998731  0.999382  1
  Si  Si29  1  0.000547  0.998722  0.334697  1
  Si  Si30  1  0.000121  0.999654  0.666497  1
  Si  Si31  1  0.997654  0.335679  0.989001  1
  Si  Si32  1  0.999605  0.333728  0.336362  1
  Si  Si33  1  0.000056  0.333277  0.666415  1
  Si  Si34  1  0.999991  0.667062  0.999960  1
  Si  Si35  1  0.999815  0.667313  0.333893  1
  Si  Si36  1  0.000009  0.667044  0.666380  1
  Si  Si37  1  0.332821  0.000512  0.999879  1
  Si  Si38  1  0.333873  0.999461  0.333282  1
  Si  Si39  1  0.333221  0.000112  0.666753  1
  Si  Si40  1  0.334604  0.333356  0.999384  1
  Si  Si41  1  0.334611  0.332787  0.334697  1
  Si  Si42  1  0.333679  0.333212  0.666497  1
  Si  Si43  1  0.334015  0.667408  0.999937  1
  Si  Si44  1  0.333181  0.666653  0.333251  1
  Si  Si45  1  0.333266  0.666631  0.666725  1
  Si  Si46  1  0.665925  0.999318  0.999937  1
  Si  Si47  1  0.666680  0.000152  0.333251  1
  Si  Si48  1  0.666703  0.000068  0.666725  1
  Si  Si49  1  0.666271  0.333342  0.999960  1
  Si  Si50  1  0.666021  0.333518  0.333893  1
  Si  Si51  1  0.666289  0.333324  0.666380  1
  Si  Si52  1  0.666221  0.667113  0.000048  1
  Si  Si53  1  0.667044  0.666289  0.333231  1
  Si  Si54  1  0.666734  0.666599  0.666666  1
  Si  Si55  1  0.251236  0.082097  0.249255  1
  Si  Si56  1  0.250156  0.083178  0.583573  1
  Si  Si57  1  0.248657  0.084677  0.918010  1
  Si  Si58  1  0.253983  0.420870  0.254204  1
  Si  Si59  1  0.250115  0.416503  0.583499  1
  Si  Si60  1  0.251236  0.415921  0.915430  1
  Si  Si61  1  0.250115  0.750165  0.249837  1
  Si  Si62  1  0.250017  0.750289  0.583622  1
  Si  Si63  1  0.250156  0.750240  0.916511  1
  Si  Si64  1  0.583168  0.083218  0.249836  1
  Si  Si65  1  0.583045  0.083316  0.583622  1
  Si  Si66  1  0.583094  0.083178  0.916511  1
  Si  Si67  1  0.583211  0.416788  0.250121  1
  Si  Si68  1  0.583672  0.416786  0.582994  1
  Si  Si69  1  0.583168  0.416503  0.916552  1
  Si  Si70  1  0.583672  0.749661  0.250120  1
  Si  Si71  1  0.583243  0.750082  0.583424  1
  Si  Si72  1  0.583045  0.750289  0.916649  1
  Si  Si73  1  0.912463  0.079350  0.254204  1
  Si  Si74  1  0.916830  0.083218  0.583499  1
  Si  Si75  1  0.917412  0.082097  0.915430  1
  Si  Si76  1  0.918526  0.414808  0.248141  1
  Si  Si77  1  0.916546  0.416788  0.583456  1
  Si  Si78  1  0.912463  0.420871  0.912683  1
  Si  Si79  1  0.916546  0.750125  0.250121  1
  Si  Si80  1  0.916547  0.749661  0.582994  1
  Si  Si81  1  0.916830  0.750166  0.916552  1
  Si  Si82  1  0.997654  0.155668  0.169013  1
  Si  Si83  1  0.999991  0.166626  0.500396  1
  Si  Si84  1  0.999977  0.166051  0.832062  1
  Si  Si85  1  0.999605  0.503029  0.167062  1
  Si  Si86  1  0.999816  0.500560  0.500645  1
  Si  Si87  1  0.000547  0.501364  0.832055  1
  Si  Si88  1  0.000057  0.833083  0.166609  1
  Si  Si89  1  0.000010  0.833046  0.500378  1
  Si  Si90  1  0.000121  0.833164  0.832987  1
  Si  Si91  1  0.334604  0.166051  0.166690  1
  Si  Si92  1  0.334015  0.166604  0.500742  1
  Si  Si93  1  0.332821  0.166546  0.833846  1
  Si  Si94  1  0.334611  0.501364  0.166120  1
  Si  Si95  1  0.333182  0.499916  0.499987  1
  Si  Si96  1  0.333873  0.499949  0.832794  1
  Si  Si97  1  0.333680  0.833164  0.166545  1
  Si  Si98  1  0.333266  0.833392  0.499964  1
  Si  Si99  1  0.333221  0.833419  0.833446  1
  Si  Si100  1  0.666271  0.166626  0.166675  1
  Si  Si101  1  0.666221  0.166714  0.500446  1
  Si  Si102  1  0.665925  0.166604  0.832651  1
  Si  Si103  1  0.666022  0.500560  0.166851  1
  Si  Si104  1  0.667044  0.499898  0.499623  1
  Si  Si105  1  0.666680  0.499917  0.833485  1
  Si  Si106  1  0.666289  0.833046  0.166657  1
  Si  Si107  1  0.666730  0.833329  0.499937  1
  Si  Si108  1  0.666703  0.833392  0.833401  1
  Si  Si109  1  0.085591  0.247742  0.260979  1
  Si  Si110  1  0.083273  0.250060  0.583631  1
  Si  Si111  1  0.083679  0.249654  0.913703  1
  Si  Si112  1  0.083373  0.584621  0.250646  1
  Si  Si113  1  0.083212  0.583691  0.583547  1
  Si  Si114  1  0.082807  0.584567  0.915312  1
  Si  Si115  1  0.083377  0.916237  0.250043  1
  Si  Si116  1  0.083278  0.916258  0.583635  1
  Si  Si117  1  0.083511  0.916059  0.916116  1
  Si  Si118  1  0.417097  0.249958  0.250044  1
  Si  Si119  1  0.417075  0.250055  0.583635  1
  Si  Si120  1  0.417275  0.249822  0.916116  1
  Si  Si121  1  0.417394  0.584015  0.250079  1
  Si  Si122  1  0.416651  0.583220  0.583240  1
  Si  Si123  1  0.416642  0.583159  0.916756  1
  Si  Si124  1  0.417119  0.916214  0.249969  1
  Si  Si125  1  0.416554  0.916777  0.583306  1
  Si  Si126  1  0.416304  0.917029  0.916758  1
  Si  Si127  1  0.748714  0.249959  0.250647  1
  Si  Si128  1  0.749642  0.250121  0.583546  1
  Si  Si129  1  0.748766  0.250526  0.915312  1
  Si  Si130  1  0.750529  0.582807  0.250099  1
  Si  Si131  1  0.750126  0.583208  0.583228  1
  Si  Si132  1  0.749454  0.583879  0.916702  1
  Si  Si133  1  0.749317  0.915939  0.250078  1
  Si  Si134  1  0.750113  0.916681  0.583240  1
  Si  Si135  1  0.750174  0.916691  0.916756  1
  Si  Si136  1  0.167285  0.998731  0.166689  1
  Si  Si137  1  0.166730  0.999318  0.500742  1
  Si  Si138  1  0.166788  0.000512  0.833846  1
  Si  Si139  1  0.177666  0.335679  0.169012  1
  Si  Si140  1  0.166707  0.333342  0.500396  1
  Si  Si141  1  0.167283  0.333356  0.832062  1
  Si  Si142  1  0.166707  0.667062  0.166675  1
  Si  Si143  1  0.166619  0.667113  0.500446  1
  Si  Si144  1  0.166730  0.667409  0.832652  1
  Si  Si145  1  0.500169  0.999654  0.166545  1
  Si  Si146  1  0.499942  0.000068  0.499964  1
  Si  Si147  1  0.499914  0.000113  0.833446  1
  Si  Si148  1  0.500252  0.333277  0.166610  1
  Si  Si149  1  0.500287  0.333324  0.500378  1
  Si  Si150  1  0.500170  0.333212  0.832987  1
  Si  Si151  1  0.500287  0.667044  0.166657  1
  Si  Si152  1  0.500000  0.666599  0.499933  1
  Si  Si153  1  0.499942  0.666631  0.833401  1
  Si  Si154  1  0.831970  0.998722  0.166120  1
  Si  Si155  1  0.833416  0.000152  0.499987  1
  Si  Si156  1  0.833384  0.999461  0.832794  1
  Si  Si157  1  0.830305  0.333728  0.167062  1
  Si  Si158  1  0.832773  0.333518  0.500645  1
  Si  Si159  1  0.831969  0.332787  0.832055  1
  Si  Si160  1  0.832774  0.667313  0.166851  1
  Si  Si161  1  0.833436  0.666289  0.499622  1
  Si  Si162  1  0.833416  0.666653  0.833485  1
  Si  Si163  1  0.083679  0.080370  0.082988  1
  Si  Si164  1  0.082807  0.081979  0.417901  1
  Si  Si165  1  0.083511  0.082783  0.749392  1
  Si  Si166  1  0.085591  0.427646  0.081076  1
  Si  Si167  1  0.083375  0.417313  0.417953  1
  Si  Si168  1  0.083376  0.416711  0.749570  1
  Si  Si169  1  0.083273  0.750298  0.083394  1
  Si  Si170  1  0.083212  0.750213  0.417024  1
  Si  Si171  1  0.083278  0.750301  0.749591  1
  Si  Si172  1  0.417275  0.082783  0.083155  1
  Si  Si173  1  0.416642  0.083423  0.416493  1
  Si  Si174  1  0.416304  0.083425  0.750363  1
  Si  Si175  1  0.417097  0.416711  0.083291  1
  Si  Si176  1  0.417395  0.416745  0.417349  1
  Si  Si177  1  0.417119  0.416635  0.749548  1
  Si  Si178  1  0.417075  0.750301  0.083389  1
  Si  Si179  1  0.416651  0.749907  0.416553  1
  Si  Si180  1  0.416555  0.749974  0.750112  1
  Si  Si181  1  0.748766  0.081979  0.083859  1
  Si  Si182  1  0.749454  0.083368  0.417212  1
  Si  Si183  1  0.750174  0.083423  0.750024  1
  Si  Si184  1  0.748714  0.417313  0.083292  1
  Si  Si185  1  0.750528  0.416766  0.416139  1
  Si  Si186  1  0.749318  0.416745  0.749272  1
  Si  Si187  1  0.749643  0.750213  0.083454  1
  Si  Si188  1  0.750125  0.749895  0.416542  1
  Si  Si189  1  0.750113  0.749907  0.750015  1
  Si  Si190  1  0.164787  0.168547  0.001880  1
  Si  Si191  1  0.170888  0.162445  0.337211  1
  Si  Si192  1  0.166772  0.166562  0.666597  1
  Si  Si193  1  0.170888  0.503877  0.995778  1
  Si  Si194  1  0.165997  0.501215  0.334548  1
  Si  Si195  1  0.166563  0.500082  0.666498  1
  Si  Si196  1  0.166772  0.833264  0.999895  1
  Si  Si197  1  0.166563  0.833164  0.333416  1
  Si  Si198  1  0.166778  0.833642  0.666975  1
  Si  Si199  1  0.500070  0.166562  0.999895  1
  Si  Si200  1  0.500169  0.166771  0.333416  1
  Si  Si201  1  0.499692  0.166555  0.666975  1
  Si  Si202  1  0.500169  0.500082  0.000104  1
  Si  Si203  1  0.500192  0.500165  0.333498  1
  Si  Si204  1  0.500291  0.500004  0.666376  1
  Si  Si205  1  0.499692  0.833642  0.999888  1
  Si  Si206  1  0.500290  0.833043  0.333337  1
  Si  Si207  1  0.499959  0.833373  0.666707  1
  Si  Si208  1  0.829456  0.162445  0.995778  1
  Si  Si209  1  0.832119  0.167336  0.334548  1
  Si  Si210  1  0.833251  0.166771  0.666498  1
  Si  Si211  1  0.832120  0.501216  0.000670  1
  Si  Si212  1  0.834682  0.498651  0.331984  1
  Si  Si213  1  0.833168  0.500165  0.666474  1
  Si  Si214  1  0.833251  0.833164  0.000104  1
  Si  Si215  1  0.833168  0.833142  0.333499  1
  Si  Si216  1  0.833329  0.833043  0.666376  1
  As  As217  1  0.041681  0.291653  0.124986  1
