# generated using pymatgen
data_ZrSi216
_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   ZrSi216
_chemical_formula_sum   'Zr1 Si216'
_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
  Zr  Zr1  1  0.082763  0.250563  0.083091  1
  Si  Si2  1  0.257019  0.250163  0.083504  1
  Si  Si3  1  0.250357  0.250165  0.418054  1
  Si  Si4  1  0.250065  0.250264  0.749177  1
  Si  Si5  1  0.250073  0.584631  0.083474  1
  Si  Si6  1  0.250197  0.584264  0.417449  1
  Si  Si7  1  0.249909  0.583772  0.750012  1
  Si  Si8  1  0.250408  0.915706  0.083538  1
  Si  Si9  1  0.249922  0.916750  0.417084  1
  Si  Si10  1  0.250154  0.916229  0.749406  1
  Si  Si11  1  0.583197  0.250189  0.083586  1
  Si  Si12  1  0.583392  0.250155  0.417220  1
  Si  Si13  1  0.583242  0.250272  0.750007  1
  Si  Si14  1  0.583324  0.583732  0.083495  1
  Si  Si15  1  0.583135  0.583667  0.416937  1
  Si  Si16  1  0.582966  0.583691  0.750003  1
  Si  Si17  1  0.583335  0.916485  0.083600  1
  Si  Si18  1  0.583122  0.916735  0.416997  1
  Si  Si19  1  0.583173  0.916824  0.750070  1
  Si  Si20  1  0.911809  0.251082  0.082652  1
  Si  Si21  1  0.916141  0.250194  0.418009  1
  Si  Si22  1  0.916294  0.250188  0.749185  1
  Si  Si23  1  0.916294  0.584530  0.083433  1
  Si  Si24  1  0.916358  0.583640  0.416958  1
  Si  Si25  1  0.915981  0.584560  0.749056  1
  Si  Si26  1  0.916104  0.915643  0.083471  1
  Si  Si27  1  0.916142  0.916323  0.417311  1
  Si  Si28  1  0.916323  0.916830  0.750145  1
  Si  Si29  1  0.998357  0.998365  0.998761  1
  Si  Si30  1  0.000936  0.998956  0.334732  1
  Si  Si31  1  0.999478  0.999842  0.666547  1
  Si  Si32  1  0.992634  0.340706  0.993038  1
  Si  Si33  1  0.998391  0.334948  0.335321  1
  Si  Si34  1  0.999732  0.333600  0.666494  1
  Si  Si35  1  0.999729  0.667310  0.000112  1
  Si  Si36  1  0.999501  0.667209  0.333886  1
  Si  Si37  1  0.000004  0.667376  0.666304  1
  Si  Si38  1  0.334397  0.998936  0.001223  1
  Si  Si39  1  0.333478  0.999865  0.333946  1
  Si  Si40  1  0.333167  0.000168  0.666594  1
  Si  Si41  1  0.334975  0.334983  0.998754  1
  Si  Si42  1  0.334365  0.332390  0.334723  1
  Si  Si43  1  0.333492  0.333860  0.666545  1
  Si  Si44  1  0.333498  0.667290  0.999901  1
  Si  Si45  1  0.333226  0.667089  0.333525  1
  Si  Si46  1  0.333193  0.666972  0.666718  1
  Si  Si47  1  0.666045  0.999839  0.999910  1
  Si  Si48  1  0.666238  0.000101  0.333533  1
  Si  Si49  1  0.666356  0.000136  0.666734  1
  Si  Si50  1  0.666028  0.333602  0.000118  1
  Si  Si51  1  0.666121  0.333831  0.333881  1
  Si  Si52  1  0.665969  0.333317  0.666310  1
  Si  Si53  1  0.666000  0.667334  0.000311  1
  Si  Si54  1  0.666360  0.666961  0.333605  1
  Si  Si55  1  0.666445  0.666888  0.666851  1
  Si  Si56  1  0.250275  0.083061  0.250667  1
  Si  Si57  1  0.249889  0.083446  0.583508  1
  Si  Si58  1  0.254200  0.079138  0.911756  1
  Si  Si59  1  0.254201  0.421899  0.254509  1
  Si  Si60  1  0.249958  0.417127  0.583459  1
  Si  Si61  1  0.250244  0.417368  0.916424  1
  Si  Si62  1  0.249975  0.750336  0.250366  1
  Si  Si63  1  0.249982  0.750296  0.583463  1
  Si  Si64  1  0.249911  0.750325  0.916621  1
  Si  Si65  1  0.583003  0.083359  0.250371  1
  Si  Si66  1  0.583044  0.083349  0.583466  1
  Si  Si67  1  0.583013  0.083417  0.916628  1
  Si  Si68  1  0.583095  0.417099  0.250301  1
  Si  Si69  1  0.582894  0.417110  0.583278  1
  Si  Si70  1  0.583074  0.417106  0.916619  1
  Si  Si71  1  0.583086  0.750252  0.250387  1
  Si  Si72  1  0.583081  0.750235  0.583501  1
  Si  Si73  1  0.582921  0.750435  0.916579  1
  Si  Si74  1  0.911438  0.079129  0.254521  1
  Si  Si75  1  0.916207  0.083367  0.583461  1
  Si  Si76  1  0.915979  0.083100  0.916433  1
  Si  Si77  1  0.916018  0.417332  0.250621  1
  Si  Si78  1  0.916270  0.417052  0.583427  1
  Si  Si79  1  0.910460  0.422877  0.910729  1
  Si  Si80  1  0.916227  0.750231  0.250305  1
  Si  Si81  1  0.916203  0.750442  0.583280  1
  Si  Si82  1  0.916228  0.750269  0.916611  1
  Si  Si83  1  0.996016  0.160098  0.173619  1
  Si  Si84  1  0.999830  0.166781  0.500620  1
  Si  Si85  1  0.998847  0.165826  0.832473  1
  Si  Si86  1  0.998849  0.501321  0.167864  1
  Si  Si87  1  0.999634  0.500697  0.500620  1
  Si  Si88  1  0.001135  0.502113  0.831574  1
  Si  Si89  1  0.999828  0.833141  0.166944  1
  Si  Si90  1  0.000084  0.833365  0.500321  1
  Si  Si91  1  0.999605  0.833123  0.833032  1
  Si  Si92  1  0.335211  0.165372  0.168314  1
  Si  Si93  1  0.333804  0.166671  0.500821  1
  Si  Si94  1  0.334753  0.168223  0.831952  1
  Si  Si95  1  0.334770  0.501763  0.165447  1
  Si  Si96  1  0.333258  0.500268  0.500238  1
  Si  Si97  1  0.333472  0.500688  0.833136  1
  Si  Si98  1  0.333855  0.833019  0.167107  1
  Si  Si99  1  0.333312  0.833500  0.500244  1
  Si  Si100  1  0.333204  0.833421  0.833375  1
  Si  Si101  1  0.666100  0.166766  0.166968  1
  Si  Si102  1  0.666366  0.166927  0.500605  1
  Si  Si103  1  0.666183  0.166636  0.833168  1
  Si  Si104  1  0.666271  0.500545  0.167075  1
  Si  Si105  1  0.666409  0.500257  0.500169  1
  Si  Si106  1  0.666238  0.500266  0.833344  1
  Si  Si107  1  0.666348  0.833059  0.166723  1
  Si  Si108  1  0.666507  0.833496  0.500257  1
  Si  Si109  1  0.666441  0.833566  0.833466  1
  Si  Si110  1  0.083156  0.250178  0.257372  1
  Si  Si111  1  0.083125  0.250201  0.583647  1
  Si  Si112  1  0.082288  0.251056  0.912231  1
  Si  Si113  1  0.083100  0.584593  0.250438  1
  Si  Si114  1  0.083143  0.583710  0.583641  1
  Si  Si115  1  0.083094  0.584583  0.916666  1
  Si  Si116  1  0.083198  0.915666  0.250749  1
  Si  Si117  1  0.083109  0.916520  0.583779  1
  Si  Si118  1  0.083128  0.915704  0.916520  1
  Si  Si119  1  0.417664  0.250129  0.250749  1
  Si  Si120  1  0.416811  0.250218  0.583786  1
  Si  Si121  1  0.417633  0.250208  0.916519  1
  Si  Si122  1  0.417164  0.584270  0.250505  1
  Si  Si123  1  0.416518  0.583629  0.583561  1
  Si  Si124  1  0.416549  0.583696  0.916798  1
  Si  Si125  1  0.416598  0.916739  0.250420  1
  Si  Si126  1  0.416591  0.916743  0.583556  1
  Si  Si127  1  0.417009  0.916321  0.916426  1
  Si  Si128  1  0.748747  0.250238  0.250438  1
  Si  Si129  1  0.749629  0.250178  0.583646  1
  Si  Si130  1  0.748751  0.250238  0.916673  1
  Si  Si131  1  0.749626  0.583700  0.250332  1
  Si  Si132  1  0.749604  0.583714  0.583372  1
  Si  Si133  1  0.748779  0.584545  0.916255  1
  Si  Si134  1  0.749070  0.916170  0.250514  1
  Si  Si135  1  0.749680  0.916803  0.583568  1
  Si  Si136  1  0.749648  0.916805  0.916799  1
  Si  Si137  1  0.167958  0.998128  0.168316  1
  Si  Si138  1  0.166663  0.999532  0.500825  1
  Si  Si139  1  0.165114  0.998586  0.831953  1
  Si  Si140  1  0.173248  0.337332  0.173616  1
  Si  Si141  1  0.166549  0.333497  0.500623  1
  Si  Si142  1  0.167513  0.334498  0.832468  1
  Si  Si143  1  0.166571  0.667240  0.166960  1
  Si  Si144  1  0.166407  0.666974  0.500604  1
  Si  Si145  1  0.166694  0.667152  0.833160  1
  Si  Si146  1  0.500321  0.999487  0.167107  1
  Si  Si147  1  0.499840  0.000019  0.500247  1
  Si  Si148  1  0.499913  0.000130  0.833383  1
  Si  Si149  1  0.500187  0.333497  0.166939  1
  Si  Si150  1  0.499965  0.333235  0.500321  1
  Si  Si151  1  0.500219  0.333733  0.833033  1
  Si  Si152  1  0.500283  0.666993  0.166726  1
  Si  Si153  1  0.499818  0.666813  0.500251  1
  Si  Si154  1  0.499787  0.666908  0.833467  1
  Si  Si155  1  0.831581  0.998565  0.165455  1
  Si  Si156  1  0.833051  0.000067  0.500255  1
  Si  Si157  1  0.832666  0.999882  0.833144  1
  Si  Si158  1  0.832030  0.334491  0.167873  1
  Si  Si159  1  0.832629  0.333690  0.500618  1
  Si  Si160  1  0.831226  0.332199  0.831581  1
  Si  Si161  1  0.832778  0.667062  0.167073  1
  Si  Si162  1  0.833068  0.666920  0.500174  1
  Si  Si163  1  0.833063  0.667097  0.833347  1
  Si  Si164  1  0.083172  0.076326  0.083510  1
  Si  Si165  1  0.083164  0.082966  0.418056  1
  Si  Si166  1  0.083074  0.083267  0.749179  1
  Si  Si167  1  0.082254  0.421540  0.082648  1
  Si  Si168  1  0.083141  0.417191  0.418014  1
  Si  Si169  1  0.083145  0.417040  0.749176  1
  Si  Si170  1  0.083137  0.750138  0.083585  1
  Si  Si171  1  0.083173  0.749946  0.417216  1
  Si  Si172  1  0.083053  0.750092  0.750002  1
  Si  Si173  1  0.417632  0.082923  0.083536  1
  Si  Si174  1  0.416592  0.083411  0.417088  1
  Si  Si175  1  0.417106  0.083176  0.749407  1
  Si  Si176  1  0.417689  0.417227  0.083470  1
  Si  Si177  1  0.417004  0.417170  0.417303  1
  Si  Si178  1  0.416509  0.417012  0.750138  1
  Si  Si179  1  0.416849  0.749998  0.083598  1
  Si  Si180  1  0.416587  0.750206  0.416990  1
  Si  Si181  1  0.416500  0.750144  0.750069  1
  Si  Si182  1  0.748705  0.083262  0.083485  1
  Si  Si183  1  0.749070  0.083132  0.417453  1
  Si  Si184  1  0.749567  0.083425  0.750017  1
  Si  Si185  1  0.748807  0.417034  0.083440  1
  Si  Si186  1  0.749688  0.416970  0.416953  1
  Si  Si187  1  0.748778  0.417346  0.749060  1
  Si  Si188  1  0.749598  0.750008  0.083488  1
  Si  Si189  1  0.749651  0.750178  0.416942  1
  Si  Si190  1  0.749643  0.750369  0.750004  1
  Si  Si191  1  0.173296  0.160049  0.996387  1
  Si  Si192  1  0.167946  0.165385  0.335593  1
  Si  Si193  1  0.166512  0.166825  0.666593  1
  Si  Si194  1  0.167490  0.501336  0.999246  1
  Si  Si195  1  0.165130  0.501734  0.335085  1
  Si  Si196  1  0.166737  0.500560  0.666619  1
  Si  Si197  1  0.166542  0.833152  0.000254  1
  Si  Si198  1  0.166709  0.832976  0.334263  1
  Si  Si199  1  0.166329  0.833108  0.666720  1
  Si  Si200  1  0.500184  0.166790  0.000250  1
  Si  Si201  1  0.500367  0.166627  0.334264  1
  Si  Si202  1  0.500231  0.167001  0.666726  1
  Si  Si203  1  0.500293  0.500743  0.999990  1
  Si  Si204  1  0.499935  0.500293  0.333584  1
  Si  Si205  1  0.499776  0.500207  0.666810  1
  Si  Si206  1  0.499964  0.833375  0.000457  1
  Si  Si207  1  0.499861  0.833470  0.333688  1
  Si  Si208  1  0.499847  0.833485  0.666931  1
  Si  Si209  1  0.831994  0.165847  0.999250  1
  Si  Si210  1  0.831599  0.168198  0.335084  1
  Si  Si211  1  0.832782  0.166594  0.666622  1
  Si  Si212  1  0.831263  0.502064  0.001404  1
  Si  Si213  1  0.832734  0.500601  0.333881  1
  Si  Si214  1  0.833042  0.500290  0.666530  1
  Si  Si215  1  0.832590  0.833045  0.999985  1
  Si  Si216  1  0.833028  0.833381  0.333594  1
  Si  Si217  1  0.833120  0.833568  0.666818  1
