# 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  0.253698  0.249279  0.082579  1
  Si  Si2  1  0.251556  0.250114  0.417988  1
  Si  Si3  1  0.250981  0.249495  0.749075  1
  Si  Si4  1  0.251568  0.584652  0.083416  1
  Si  Si5  1  0.250296  0.584276  0.417574  1
  Si  Si6  1  0.250455  0.583113  0.749479  1
  Si  Si7  1  0.250975  0.915769  0.082808  1
  Si  Si8  1  0.250421  0.916150  0.416399  1
  Si  Si9  1  0.250191  0.916951  0.750249  1
  Si  Si10  1  0.583385  0.249667  0.082963  1
  Si  Si11  1  0.583210  0.249754  0.417014  1
  Si  Si12  1  0.583278  0.249762  0.749291  1
  Si  Si13  1  0.583233  0.583699  0.083054  1
  Si  Si14  1  0.583722  0.583115  0.416424  1
  Si  Si15  1  0.583431  0.583321  0.749525  1
  Si  Si16  1  0.583270  0.915982  0.083062  1
  Si  Si17  1  0.583439  0.916224  0.416591  1
  Si  Si18  1  0.583367  0.916445  0.749725  1
  Si  Si19  1  0.905920  0.247608  0.080958  1
  Si  Si20  1  0.915959  0.249739  0.418379  1
  Si  Si21  1  0.916721  0.249853  0.749269  1
  Si  Si22  1  0.915969  0.585039  0.083028  1
  Si  Si23  1  0.916711  0.582709  0.416076  1
  Si  Si24  1  0.916380  0.584154  0.749193  1
  Si  Si25  1  0.916715  0.915945  0.083203  1
  Si  Si26  1  0.916393  0.915853  0.417447  1
  Si  Si27  1  0.916856  0.915707  0.749021  1
  Si  Si28  1  0.000118  0.998061  0.998996  1
  Si  Si29  1  0.000452  0.998265  0.334500  1
  Si  Si30  1  0.000185  0.999300  0.666211  1
  Si  Si31  1  0.997903  0.335481  0.988919  1
  Si  Si32  1  0.999561  0.333797  0.336771  1
  Si  Si33  1  0.000106  0.333243  0.666242  1
  Si  Si34  1  0.000234  0.667052  0.999605  1
  Si  Si35  1  0.999842  0.667308  0.333989  1
  Si  Si36  1  0.000142  0.667004  0.666265  1
  Si  Si37  1  0.333099  0.000265  0.999594  1
  Si  Si38  1  0.334601  0.998730  0.333230  1
  Si  Si39  1  0.333555  0.999734  0.666599  1
  Si  Si40  1  0.335385  0.333221  0.998932  1
  Si  Si41  1  0.335069  0.332910  0.334454  1
  Si  Si42  1  0.334068  0.333122  0.666189  1
  Si  Si43  1  0.334511  0.667079  0.999348  1
  Si  Si44  1  0.333513  0.666769  0.333332  1
  Si  Si45  1  0.333666  0.666624  0.666363  1
  Si  Si46  1  0.666275  0.998837  0.999351  1
  Si  Si47  1  0.666477  0.999810  0.333386  1
  Si  Si48  1  0.666688  0.999617  0.666406  1
  Si  Si49  1  0.666364  0.333110  0.999585  1
  Si  Si50  1  0.666153  0.333376  0.333957  1
  Si  Si51  1  0.666365  0.333169  0.666225  1
  Si  Si52  1  0.666064  0.667298  0.999748  1
  Si  Si53  1  0.667288  0.665989  0.333062  1
  Si  Si54  1  0.666810  0.666473  0.666230  1
  Si  Si55  1  0.252130  0.081240  0.248856  1
  Si  Si56  1  0.250403  0.082921  0.583123  1
  Si  Si57  1  0.248953  0.084414  0.917734  1
  Si  Si58  1  0.254012  0.421480  0.254798  1
  Si  Si59  1  0.250468  0.416499  0.583350  1
  Si  Si60  1  0.252160  0.415536  0.914560  1
  Si  Si61  1  0.250469  0.750035  0.249788  1
  Si  Si62  1  0.250271  0.750349  0.583647  1
  Si  Si63  1  0.250434  0.749816  0.916230  1
  Si  Si64  1  0.583307  0.082874  0.249778  1
  Si  Si65  1  0.582980  0.082967  0.583629  1
  Si  Si66  1  0.583554  0.082900  0.916198  1
  Si  Si67  1  0.583501  0.416648  0.249959  1
  Si  Si68  1  0.583909  0.416637  0.582702  1
  Si  Si69  1  0.583307  0.416483  0.916190  1
  Si  Si70  1  0.583945  0.749368  0.249941  1
  Si  Si71  1  0.583456  0.749762  0.582997  1
  Si  Si72  1  0.582989  0.750311  0.916249  1
  Si  Si73  1  0.911931  0.079307  0.254800  1
  Si  Si74  1  0.916811  0.082880  0.583364  1
  Si  Si75  1  0.917813  0.081229  0.914585  1
  Si  Si76  1  0.918745  0.414634  0.247963  1
  Si  Si77  1  0.916527  0.416746  0.583430  1
  Si  Si78  1  0.911961  0.421451  0.912627  1
  Si  Si79  1  0.916516  0.750006  0.250055  1
  Si  Si80  1  0.916664  0.749419  0.582728  1
  Si  Si81  1  0.916825  0.750063  0.916208  1
  Si  Si82  1  0.997884  0.155599  0.168845  1
  Si  Si83  1  0.000219  0.166304  0.500364  1
  Si  Si84  1  0.000117  0.165644  0.831394  1
  Si  Si85  1  0.999555  0.503456  0.167125  1
  Si  Si86  1  0.999842  0.500633  0.500682  1
  Si  Si87  1  0.000462  0.501183  0.831580  1
  Si  Si88  1  0.000088  0.832884  0.166574  1
  Si  Si89  1  0.000151  0.832943  0.500314  1
  Si  Si90  1  0.000199  0.832906  0.832619  1
  Si  Si91  1  0.335343  0.165636  0.166553  1
  Si  Si92  1  0.334496  0.166033  0.500405  1
  Si  Si93  1  0.333088  0.166287  0.833581  1
  Si  Si94  1  0.335088  0.501132  0.166220  1
  Si  Si95  1  0.333507  0.500040  0.500085  1
  Si  Si96  1  0.334615  0.499942  0.832061  1
  Si  Si97  1  0.334060  0.832880  0.166414  1
  Si  Si98  1  0.333655  0.833051  0.499894  1
  Si  Si99  1  0.333562  0.833312  0.833020  1
  Si  Si100  1  0.666360  0.166295  0.166428  1
  Si  Si101  1  0.666052  0.166453  0.500613  1
  Si  Si102  1  0.666277  0.166045  0.832141  1
  Si  Si103  1  0.666162  0.500615  0.166683  1
  Si  Si104  1  0.667267  0.499763  0.499328  1
  Si  Si105  1  0.666464  0.500089  0.833122  1
  Si  Si106  1  0.666370  0.832908  0.166468  1
  Si  Si107  1  0.666838  0.832954  0.499727  1
  Si  Si108  1  0.666674  0.833121  0.832905  1
  Si  Si109  1  0.085738  0.247608  0.260937  1
  Si  Si110  1  0.083639  0.249684  0.583360  1
  Si  Si111  1  0.084112  0.249293  0.913069  1
  Si  Si112  1  0.083590  0.585066  0.250739  1
  Si  Si113  1  0.083526  0.583714  0.583521  1
  Si  Si114  1  0.083278  0.584682  0.915121  1
  Si  Si115  1  0.083495  0.915910  0.249950  1
  Si  Si116  1  0.083521  0.916032  0.583412  1
  Si  Si117  1  0.083832  0.915770  0.915741  1
  Si  Si118  1  0.417450  0.249859  0.249938  1
  Si  Si119  1  0.417330  0.249769  0.583391  1
  Si  Si120  1  0.417643  0.249473  0.915668  1
  Si  Si121  1  0.417540  0.584082  0.250203  1
  Si  Si122  1  0.417040  0.583297  0.583096  1
  Si  Si123  1  0.417208  0.583110  0.916196  1
  Si  Si124  1  0.417654  0.915688  0.249725  1
  Si  Si125  1  0.416789  0.916429  0.583190  1
  Si  Si126  1  0.416412  0.916895  0.916370  1
  Si  Si127  1  0.748422  0.249683  0.250699  1
  Si  Si128  1  0.749619  0.249769  0.583467  1
  Si  Si129  1  0.748736  0.250060  0.915115  1
  Si  Si130  1  0.750684  0.582646  0.249938  1
  Si  Si131  1  0.750081  0.583185  0.582882  1
  Si  Si132  1  0.749093  0.584244  0.916277  1
  Si  Si133  1  0.749193  0.915869  0.250247  1
  Si  Si134  1  0.749971  0.916233  0.583134  1
  Si  Si135  1  0.750224  0.916136  0.916188  1
  Si  Si136  1  0.167715  0.998032  0.166560  1
  Si  Si137  1  0.167286  0.998836  0.500424  1
  Si  Si138  1  0.167021  0.000289  0.833625  1
  Si  Si139  1  0.177879  0.335470  0.168819  1
  Si  Si140  1  0.167015  0.333117  0.500358  1
  Si  Si141  1  0.167740  0.333244  0.831348  1
  Si  Si142  1  0.167029  0.667029  0.166423  1
  Si  Si143  1  0.166795  0.667305  0.500623  1
  Si  Si144  1  0.167303  0.667116  0.832151  1
  Si  Si145  1  0.500481  0.999270  0.166395  1
  Si  Si146  1  0.500196  0.999603  0.499932  1
  Si  Si147  1  0.500042  0.999723  0.833030  1
  Si  Si148  1  0.500515  0.333189  0.166510  1
  Si  Si149  1  0.500423  0.333125  0.500279  1
  Si  Si150  1  0.500504  0.333106  0.832559  1
  Si  Si151  1  0.500450  0.666954  0.166426  1
  Si  Si152  1  0.500322  0.666385  0.499677  1
  Si  Si153  1  0.500181  0.666654  0.832880  1
  Si  Si154  1  0.832193  0.998287  0.166252  1
  Si  Si155  1  0.833246  0.999803  0.500164  1
  Si  Si156  1  0.833399  0.998758  0.832079  1
  Si  Si157  1  0.830012  0.333771  0.167100  1
  Si  Si158  1  0.832688  0.333443  0.500630  1
  Si  Si159  1  0.832207  0.332931  0.831608  1
  Si  Si160  1  0.832683  0.667248  0.166737  1
  Si  Si161  1  0.833506  0.666060  0.499378  1
  Si  Si162  1  0.833242  0.666869  0.833136  1
  Si  Si163  1  0.084090  0.079764  0.082635  1
  Si  Si164  1  0.083270  0.081803  0.417992  1
  Si  Si165  1  0.083827  0.082389  0.749093  1
  Si  Si166  1  0.085723  0.427618  0.080923  1
  Si  Si167  1  0.083577  0.417419  0.418403  1
  Si  Si168  1  0.083515  0.416644  0.749238  1
  Si  Si169  1  0.083645  0.750031  0.083005  1
  Si  Si170  1  0.083523  0.750192  0.417030  1
  Si  Si171  1  0.083531  0.750102  0.749349  1
  Si  Si172  1  0.417602  0.082390  0.082795  1
  Si  Si173  1  0.417187  0.082891  0.416403  1
  Si  Si174  1  0.416399  0.083068  0.750210  1
  Si  Si175  1  0.417455  0.416622  0.083179  1
  Si  Si176  1  0.417517  0.416898  0.417396  1
  Si  Si177  1  0.417648  0.416442  0.749005  1
  Si  Si178  1  0.417336  0.750066  0.083080  1
  Si  Si179  1  0.417044  0.749788  0.416564  1
  Si  Si180  1  0.416805  0.749949  0.749707  1
  Si  Si181  1  0.748729  0.081795  0.083392  1
  Si  Si182  1  0.749087  0.082970  0.417568  1
  Si  Si183  1  0.750225  0.082879  0.749455  1
  Si  Si184  1  0.748422  0.417356  0.082991  1
  Si  Si185  1  0.750667  0.416607  0.416017  1
  Si  Si186  1  0.749186  0.416932  0.749201  1
  Si  Si187  1  0.749618  0.750138  0.083089  1
  Si  Si188  1  0.750104  0.749561  0.416473  1
  Si  Si189  1  0.749973  0.749844  0.749540  1
  Si  Si190  1  0.165000  0.168395  0.001714  1
  Si  Si191  1  0.171787  0.161599  0.337001  1
  Si  Si192  1  0.167117  0.166226  0.666288  1
  Si  Si193  1  0.171802  0.503668  0.994905  1
  Si  Si194  1  0.165850  0.501815  0.335151  1
  Si  Si195  1  0.166931  0.500045  0.666264  1
  Si  Si196  1  0.167129  0.832948  0.999548  1
  Si  Si197  1  0.166913  0.832929  0.333338  1
  Si  Si198  1  0.167017  0.833599  0.666900  1
  Si  Si199  1  0.500446  0.166198  0.999513  1
  Si  Si200  1  0.500410  0.166410  0.333334  1
  Si  Si201  1  0.499758  0.166254  0.666873  1
  Si  Si202  1  0.500410  0.500026  0.999722  1
  Si  Si203  1  0.500281  0.499922  0.333240  1
  Si  Si204  1  0.500654  0.499903  0.665897  1
  Si  Si205  1  0.499767  0.833539  0.999555  1
  Si  Si206  1  0.500682  0.832579  0.333183  1
  Si  Si207  1  0.500201  0.833086  0.666339  1
  Si  Si208  1  0.829771  0.161612  0.994951  1
  Si  Si209  1  0.831583  0.167409  0.335156  1
  Si  Si210  1  0.833299  0.166437  0.666279  1
  Si  Si211  1  0.831591  0.501808  0.000710  1
  Si  Si212  1  0.834809  0.498563  0.331920  1
  Si  Si213  1  0.833230  0.500079  0.666489  1
  Si  Si214  1  0.833299  0.832965  0.999761  1
  Si  Si215  1  0.833258  0.833133  0.333364  1
  Si  Si216  1  0.833386  0.832640  0.665939  1
  As  As217  1  0.041802  0.291723  0.125021  1
