# 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  0.261013  0.252176  0.081124  1
  Si  Si2  1  0.250899  0.250075  0.418533  1
  Si  Si3  1  0.250124  0.250001  0.749437  1
  Si  Si4  1  0.250169  0.583928  0.083326  1
  Si  Si5  1  0.250390  0.583944  0.417591  1
  Si  Si6  1  0.249980  0.584129  0.749247  1
  Si  Si7  1  0.250880  0.914804  0.083267  1
  Si  Si8  1  0.250180  0.917116  0.416283  1
  Si  Si9  1  0.250403  0.915726  0.749347  1
  Si  Si10  1  0.583628  0.250124  0.083262  1
  Si  Si11  1  0.583622  0.249995  0.417233  1
  Si  Si12  1  0.583610  0.250058  0.749480  1
  Si  Si13  1  0.583615  0.583812  0.083306  1
  Si  Si14  1  0.583371  0.583559  0.416895  1
  Si  Si15  1  0.583415  0.583323  0.749875  1
  Si  Si16  1  0.583576  0.916106  0.083312  1
  Si  Si17  1  0.583144  0.916496  0.416782  1
  Si  Si18  1  0.583392  0.916461  0.749856  1
  Si  Si19  1  0.913178  0.250593  0.082742  1
  Si  Si20  1  0.915315  0.249704  0.418229  1
  Si  Si21  1  0.915829  0.250376  0.749231  1
  Si  Si22  1  0.915803  0.584099  0.082969  1
  Si  Si23  1  0.916435  0.583705  0.416627  1
  Si  Si24  1  0.916635  0.582979  0.750401  1
  Si  Si25  1  0.915348  0.915123  0.083645  1
  Si  Si26  1  0.916477  0.915613  0.417710  1
  Si  Si27  1  0.916339  0.916680  0.749659  1
  Si  Si28  1  0.995110  0.996142  0.995139  1
  Si  Si29  1  0.000981  0.998067  0.335298  1
  Si  Si30  1  0.999890  0.999750  0.666446  1
  Si  Si31  1  0.001842  0.331502  0.001837  1
  Si  Si32  1  0.995100  0.338182  0.337188  1
  Si  Si33  1  0.999741  0.333653  0.666512  1
  Si  Si34  1  0.999700  0.666866  0.999733  1
  Si  Si35  1  0.999970  0.666911  0.333552  1
  Si  Si36  1  0.999786  0.666317  0.667028  1
  Si  Si37  1  0.335265  0.998054  0.000976  1
  Si  Si38  1  0.332182  0.001160  0.332204  1
  Si  Si39  1  0.333595  0.999798  0.666685  1
  Si  Si40  1  0.337171  0.338233  0.995140  1
  Si  Si41  1  0.335280  0.332340  0.335276  1
  Si  Si42  1  0.333545  0.333394  0.666444  1
  Si  Si43  1  0.333575  0.666912  0.999912  1
  Si  Si44  1  0.333564  0.666658  0.333563  1
  Si  Si45  1  0.333442  0.667182  0.666176  1
  Si  Si46  1  0.666403  0.999767  0.999981  1
  Si  Si47  1  0.666646  0.999704  0.333575  1
  Si  Si48  1  0.666176  0.999851  0.666231  1
  Si  Si49  1  0.666477  0.333592  0.999736  1
  Si  Si50  1  0.666456  0.333380  0.333642  1
  Si  Si51  1  0.667059  0.333597  0.667050  1
  Si  Si52  1  0.667048  0.666243  0.999756  1
  Si  Si53  1  0.666166  0.667143  0.333459  1
  Si  Si54  1  0.666601  0.666675  0.666634  1
  Si  Si55  1  0.248212  0.085122  0.248230  1
  Si  Si56  1  0.250283  0.083100  0.583559  1
  Si  Si57  1  0.254900  0.078395  0.912814  1
  Si  Si58  1  0.254949  0.420483  0.254889  1
  Si  Si59  1  0.250013  0.416981  0.583572  1
  Si  Si60  1  0.249019  0.418587  0.914787  1
  Si  Si61  1  0.250254  0.749780  0.250266  1
  Si  Si62  1  0.250167  0.750431  0.582916  1
  Si  Si63  1  0.250033  0.749785  0.916336  1
  Si  Si64  1  0.583521  0.083018  0.250273  1
  Si  Si65  1  0.582926  0.083109  0.582973  1
  Si  Si66  1  0.583573  0.083347  0.916389  1
  Si  Si67  1  0.583606  0.416966  0.250100  1
  Si  Si68  1  0.583832  0.416875  0.583804  1
  Si  Si69  1  0.583308  0.416896  0.916379  1
  Si  Si70  1  0.582890  0.750364  0.250175  1
  Si  Si71  1  0.583304  0.749918  0.583450  1
  Si  Si72  1  0.583780  0.749463  0.916478  1
  Si  Si73  1  0.912795  0.078395  0.254959  1
  Si  Si74  1  0.916309  0.083278  0.583573  1
  Si  Si75  1  0.914760  0.084301  0.914784  1
  Si  Si76  1  0.914761  0.418550  0.249032  1
  Si  Si77  1  0.916457  0.416968  0.583309  1
  Si  Si78  1  0.917881  0.415496  0.917854  1
  Si  Si79  1  0.916350  0.749749  0.250024  1
  Si  Si80  1  0.916478  0.749556  0.583823  1
  Si  Si81  1  0.916373  0.750037  0.916419  1
  Si  Si82  1  0.989015  0.164347  0.168949  1
  Si  Si83  1  0.999809  0.166668  0.500632  1
  Si  Si84  1  0.999081  0.166605  0.831500  1
  Si  Si85  1  0.999076  0.501831  0.166719  1
  Si  Si86  1  0.999630  0.501003  0.500587  1
  Si  Si87  1  0.999840  0.499619  0.833770  1
  Si  Si88  1  0.999856  0.832740  0.166677  1
  Si  Si89  1  0.999977  0.832575  0.500778  1
  Si  Si90  1  0.999548  0.832730  0.832347  1
  Si  Si91  1  0.336884  0.166012  0.167330  1
  Si  Si92  1  0.334190  0.166363  0.500799  1
  Si  Si93  1  0.334647  0.166953  0.831836  1
  Si  Si94  1  0.334688  0.501520  0.166378  1
  Si  Si95  1  0.333550  0.500007  0.500300  1
  Si  Si96  1  0.333460  0.501051  0.832306  1
  Si  Si97  1  0.334145  0.832526  0.166996  1
  Si  Si98  1  0.333385  0.833745  0.499661  1
  Si  Si99  1  0.333567  0.833030  0.833313  1
  Si  Si100  1  0.666444  0.166528  0.166817  1
  Si  Si101  1  0.666388  0.166631  0.500524  1
  Si  Si102  1  0.666396  0.166720  0.832792  1
  Si  Si103  1  0.666395  0.500514  0.166667  1
  Si  Si104  1  0.666651  0.500254  0.500200  1
  Si  Si105  1  0.666783  0.500082  0.833176  1
  Si  Si106  1  0.666358  0.832805  0.166648  1
  Si  Si107  1  0.666486  0.833234  0.500083  1
  Si  Si108  1  0.666619  0.833134  0.833182  1
  Si  Si109  1  0.081126  0.252179  0.261017  1
  Si  Si110  1  0.083180  0.250137  0.583629  1
  Si  Si111  1  0.082717  0.250595  0.913161  1
  Si  Si112  1  0.083343  0.583901  0.250120  1
  Si  Si113  1  0.083329  0.583896  0.583574  1
  Si  Si114  1  0.082995  0.584156  0.915846  1
  Si  Si115  1  0.083266  0.914823  0.250909  1
  Si  Si116  1  0.083279  0.916162  0.583618  1
  Si  Si117  1  0.083587  0.915139  0.915338  1
  Si  Si118  1  0.418539  0.250067  0.250901  1
  Si  Si119  1  0.417216  0.250069  0.583640  1
  Si  Si120  1  0.418181  0.249729  0.915383  1
  Si  Si121  1  0.417641  0.583970  0.250400  1
  Si  Si122  1  0.416791  0.583562  0.583345  1
  Si  Si123  1  0.416647  0.583688  0.916389  1
  Si  Si124  1  0.416215  0.917059  0.250194  1
  Si  Si125  1  0.416806  0.916575  0.583194  1
  Si  Si126  1  0.417710  0.915626  0.916488  1
  Si  Si127  1  0.749418  0.249971  0.250200  1
  Si  Si128  1  0.749470  0.250038  0.583610  1
  Si  Si129  1  0.749245  0.250373  0.915840  1
  Si  Si130  1  0.749232  0.584077  0.249990  1
  Si  Si131  1  0.749996  0.583464  0.583453  1
  Si  Si132  1  0.750360  0.582898  0.916568  1
  Si  Si133  1  0.749330  0.915659  0.250380  1
  Si  Si134  1  0.749741  0.916448  0.583390  1
  Si  Si135  1  0.749618  0.916697  0.916447  1
  Si  Si136  1  0.167324  0.996453  0.167331  1
  Si  Si137  1  0.166998  0.999214  0.500813  1
  Si  Si138  1  0.166358  0.998670  0.831788  1
  Si  Si139  1  0.168929  0.344316  0.168923  1
  Si  Si140  1  0.166644  0.333476  0.500601  1
  Si  Si141  1  0.166722  0.334243  0.831520  1
  Si  Si142  1  0.166773  0.666895  0.166748  1
  Si  Si143  1  0.166685  0.666957  0.500433  1
  Si  Si144  1  0.166629  0.666991  0.832763  1
  Si  Si145  1  0.500745  0.999150  0.167006  1
  Si  Si146  1  0.499643  0.999931  0.499629  1
  Si  Si147  1  0.500336  0.999783  0.833347  1
  Si  Si148  1  0.500626  0.333499  0.166703  1
  Si  Si149  1  0.500799  0.333354  0.500778  1
  Si  Si150  1  0.500584  0.333739  0.832342  1
  Si  Si151  1  0.500473  0.666907  0.166632  1
  Si  Si152  1  0.499998  0.666795  0.500043  1
  Si  Si153  1  0.500157  0.666679  0.833074  1
  Si  Si154  1  0.831803  0.998650  0.166416  1
  Si  Si155  1  0.833283  0.999713  0.500337  1
  Si  Si156  1  0.832266  0.999860  0.832325  1
  Si  Si157  1  0.831498  0.334194  0.166759  1
  Si  Si158  1  0.832360  0.333774  0.500658  1
  Si  Si159  1  0.833763  0.333560  0.833757  1
  Si  Si160  1  0.832764  0.666932  0.166644  1
  Si  Si161  1  0.833161  0.666768  0.500130  1
  Si  Si162  1  0.833210  0.666517  0.833228  1
  Si  Si163  1  0.081132  0.072309  0.081146  1
  Si  Si164  1  0.083251  0.082469  0.418552  1
  Si  Si165  1  0.083300  0.083192  0.749408  1
  Si  Si166  1  0.082724  0.420191  0.082712  1
  Si  Si167  1  0.083618  0.417958  0.418172  1
  Si  Si168  1  0.083017  0.417544  0.749241  1
  Si  Si169  1  0.083202  0.749733  0.083200  1
  Si  Si170  1  0.083303  0.749742  0.417198  1
  Si  Si171  1  0.083295  0.749789  0.749454  1
  Si  Si172  1  0.418506  0.082439  0.083267  1
  Si  Si173  1  0.416264  0.083141  0.416275  1
  Si  Si174  1  0.417646  0.082969  0.749390  1
  Si  Si175  1  0.418238  0.417970  0.083619  1
  Si  Si176  1  0.417722  0.416834  0.417724  1
  Si  Si177  1  0.416600  0.416928  0.749651  1
  Si  Si178  1  0.417196  0.749706  0.083287  1
  Si  Si179  1  0.416732  0.750186  0.416799  1
  Si  Si180  1  0.416836  0.749970  0.749793  1
  Si  Si181  1  0.749426  0.083179  0.083357  1
  Si  Si182  1  0.749317  0.082874  0.417662  1
  Si  Si183  1  0.749232  0.083368  0.749252  1
  Si  Si184  1  0.749237  0.417469  0.082990  1
  Si  Si185  1  0.749662  0.416962  0.416690  1
  Si  Si186  1  0.750433  0.416763  0.750353  1
  Si  Si187  1  0.749462  0.749705  0.083292  1
  Si  Si188  1  0.749754  0.749969  0.416846  1
  Si  Si189  1  0.749903  0.749839  0.749949  1
  Si  Si190  1  0.168919  0.164368  0.989019  1
  Si  Si191  1  0.167322  0.166021  0.336903  1
  Si  Si192  1  0.166753  0.166572  0.666445  1
  Si  Si193  1  0.166732  0.501872  0.999108  1
  Si  Si194  1  0.166396  0.501482  0.334617  1
  Si  Si195  1  0.166660  0.500597  0.666380  1
  Si  Si196  1  0.166649  0.832746  0.999826  1
  Si  Si197  1  0.167019  0.832570  0.334167  1
  Si  Si198  1  0.166661  0.832901  0.666376  1
  Si  Si199  1  0.500588  0.166703  0.999896  1
  Si  Si200  1  0.500798  0.166315  0.334167  1
  Si  Si201  1  0.500489  0.166686  0.666405  1
  Si  Si202  1  0.500627  0.500972  0.999558  1
  Si  Si203  1  0.500336  0.500026  0.333600  1
  Si  Si204  1  0.500093  0.500177  0.666565  1
  Si  Si205  1  0.500753  0.832545  0.999959  1
  Si  Si206  1  0.499593  0.833677  0.333382  1
  Si  Si207  1  0.500034  0.833318  0.666601  1
  Si  Si208  1  0.831495  0.166610  0.999117  1
  Si  Si209  1  0.831771  0.166898  0.334719  1
  Si  Si210  1  0.832773  0.166699  0.666396  1
  Si  Si211  1  0.833740  0.499567  0.999793  1
  Si  Si212  1  0.832312  0.501038  0.333490  1
  Si  Si213  1  0.833273  0.500164  0.666796  1
  Si  Si214  1  0.832331  0.832725  0.999622  1
  Si  Si215  1  0.833303  0.833000  0.333571  1
  Si  Si216  1  0.833084  0.833150  0.666632  1
  As  As217  1  0.125007  0.208333  0.125022  1