# generated using pymatgen
data_InSi216
_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   InSi216
_chemical_formula_sum   'In1 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
  In  In1  1  0.166533  0.166800  0.166542  1
  Si  Si2  1  0.257448  0.257836  0.075518  1
  Si  Si3  1  0.251018  0.251377  0.418422  1
  Si  Si4  1  0.249926  0.250264  0.749540  1
  Si  Si5  1  0.249934  0.583825  0.083105  1
  Si  Si6  1  0.249903  0.583841  0.416913  1
  Si  Si7  1  0.249838  0.584049  0.749318  1
  Si  Si8  1  0.251021  0.914930  0.081979  1
  Si  Si9  1  0.249476  0.914617  0.418758  1
  Si  Si10  1  0.249897  0.916454  0.749516  1
  Si  Si11  1  0.583487  0.250298  0.083085  1
  Si  Si12  1  0.583451  0.250316  0.416940  1
  Si  Si13  1  0.583738  0.250152  0.749316  1
  Si  Si14  1  0.583738  0.584049  0.083223  1
  Si  Si15  1  0.583146  0.583578  0.416533  1
  Si  Si16  1  0.583125  0.583570  0.749827  1
  Si  Si17  1  0.583461  0.916431  0.083058  1
  Si  Si18  1  0.583373  0.916833  0.416567  1
  Si  Si19  1  0.583138  0.916857  0.749796  1
  Si  Si20  1  0.914580  0.251362  0.081994  1
  Si  Si21  1  0.914278  0.249830  0.418790  1
  Si  Si22  1  0.916110  0.250241  0.749584  1
  Si  Si23  1  0.916121  0.583771  0.083134  1
  Si  Si24  1  0.916373  0.583761  0.416679  1
  Si  Si25  1  0.916434  0.583568  0.749815  1
  Si  Si26  1  0.914276  0.914575  0.083527  1
  Si  Si27  1  0.916219  0.916644  0.416725  1
  Si  Si28  1  0.916371  0.916683  0.749610  1
  Si  Si29  1  0.992949  0.993203  0.992971  1
  Si  Si30  1  0.999561  0.999938  0.333420  1
  Si  Si31  1  0.999717  0.000048  0.666450  1
  Si  Si32  1  0.999571  0.333761  0.999597  1
  Si  Si33  1  0.992956  0.340377  0.340149  1
  Si  Si34  1  0.999721  0.333611  0.666641  1
  Si  Si35  1  0.999717  0.666715  0.999746  1
  Si  Si36  1  0.999723  0.666918  0.333314  1
  Si  Si37  1  0.999738  0.666860  0.666497  1
  Si  Si38  1  0.333388  0.999944  0.999589  1
  Si  Si39  1  0.340088  0.993246  0.340129  1
  Si  Si40  1  0.333185  0.000145  0.666591  1
  Si  Si41  1  0.340130  0.340384  0.992973  1
  Si  Si42  1  0.333394  0.333771  0.333420  1
  Si  Si43  1  0.333288  0.333619  0.666451  1
  Si  Si44  1  0.333286  0.666917  0.999748  1
  Si  Si45  1  0.333182  0.666785  0.333228  1
  Si  Si46  1  0.333215  0.666844  0.666517  1
  Si  Si47  1  0.666415  0.000045  0.999743  1
  Si  Si48  1  0.666555  0.000158  0.333223  1
  Si  Si49  1  0.666488  0.000122  0.666515  1
  Si  Si50  1  0.666616  0.333618  0.999747  1
  Si  Si51  1  0.666416  0.333613  0.333315  1
  Si  Si52  1  0.666470  0.333598  0.666497  1
  Si  Si53  1  0.666458  0.666875  0.999771  1
  Si  Si54  1  0.666498  0.666840  0.333252  1
  Si  Si55  1  0.666447  0.666895  0.666477  1
  Si  Si56  1  0.257504  0.075824  0.257531  1
  Si  Si57  1  0.249831  0.083502  0.583480  1
  Si  Si58  1  0.250995  0.082335  0.914608  1
  Si  Si59  1  0.250999  0.418748  0.251024  1
  Si  Si60  1  0.249938  0.417246  0.583512  1
  Si  Si61  1  0.249570  0.419039  0.914329  1
  Si  Si62  1  0.249817  0.749885  0.249870  1
  Si  Si63  1  0.249771  0.749619  0.583754  1
  Si  Si64  1  0.249930  0.749848  0.916114  1
  Si  Si65  1  0.583450  0.083517  0.249869  1
  Si  Si66  1  0.583716  0.083563  0.583754  1
  Si  Si67  1  0.583481  0.083401  0.916117  1
  Si  Si68  1  0.583479  0.417251  0.249969  1
  Si  Si69  1  0.583146  0.416912  0.583187  1
  Si  Si70  1  0.583441  0.416997  0.916390  1
  Si  Si71  1  0.583722  0.749614  0.249825  1
  Si  Si72  1  0.583093  0.750248  0.583126  1
  Si  Si73  1  0.583131  0.750203  0.916476  1
  Si  Si74  1  0.914585  0.082337  0.251026  1
  Si  Si75  1  0.916087  0.083401  0.583512  1
  Si  Si76  1  0.914290  0.083759  0.914324  1
  Si  Si77  1  0.914298  0.419035  0.249603  1
  Si  Si78  1  0.916350  0.416983  0.583481  1
  Si  Si79  1  0.916264  0.417073  0.916299  1
  Si  Si80  1  0.916083  0.749854  0.249967  1
  Si  Si81  1  0.916426  0.750190  0.583186  1
  Si  Si82  1  0.916341  0.749894  0.916391  1
  Si  Si83  1  0.994324  0.166859  0.166502  1
  Si  Si84  1  0.999349  0.167013  0.500725  1
  Si  Si85  1  0.999347  0.166607  0.832372  1
  Si  Si86  1  0.999362  0.500981  0.166761  1
  Si  Si87  1  0.999497  0.501331  0.501064  1
  Si  Si88  1  0.999813  0.500251  0.833112  1
  Si  Si89  1  0.999341  0.832641  0.166352  1
  Si  Si90  1  0.999781  0.833473  0.499903  1
  Si  Si91  1  0.999492  0.832289  0.832033  1
  Si  Si92  1  0.338664  0.166841  0.166511  1
  Si  Si93  1  0.333645  0.166694  0.500696  1
  Si  Si94  1  0.333658  0.167040  0.832354  1
  Si  Si95  1  0.333661  0.501007  0.166330  1
  Si  Si96  1  0.333142  0.500269  0.499921  1
  Si  Si97  1  0.333540  0.501343  0.832028  1
  Si  Si98  1  0.333640  0.832673  0.166687  1
  Si  Si99  1  0.333460  0.832349  0.501054  1
  Si  Si100  1  0.333129  0.833453  0.833096  1
  Si  Si101  1  0.666514  0.166871  0.166490  1
  Si  Si102  1  0.666485  0.166864  0.500215  1
  Si  Si103  1  0.666527  0.166826  0.832844  1
  Si  Si104  1  0.666527  0.500522  0.166542  1
  Si  Si105  1  0.666351  0.500265  0.499908  1
  Si  Si106  1  0.666596  0.500285  0.833102  1
  Si  Si107  1  0.666487  0.833144  0.166505  1
  Si  Si108  1  0.666559  0.833519  0.499861  1
  Si  Si109  1  0.666335  0.833473  0.833108  1
  Si  Si110  1  0.075490  0.257838  0.257474  1
  Si  Si111  1  0.083054  0.250283  0.583522  1
  Si  Si112  1  0.081969  0.251361  0.914599  1
  Si  Si113  1  0.083081  0.583821  0.249959  1
  Si  Si114  1  0.083190  0.584048  0.583761  1
  Si  Si115  1  0.083093  0.583769  0.916147  1
  Si  Si116  1  0.081951  0.914940  0.251040  1
  Si  Si117  1  0.083025  0.916427  0.583499  1
  Si  Si118  1  0.083506  0.914566  0.914302  1
  Si  Si119  1  0.418395  0.251381  0.251044  1
  Si  Si120  1  0.416906  0.250310  0.583500  1
  Si  Si121  1  0.418763  0.249830  0.914305  1
  Si  Si122  1  0.416870  0.583851  0.249938  1
  Si  Si123  1  0.416496  0.583576  0.583181  1
  Si  Si124  1  0.416649  0.583762  0.916404  1
  Si  Si125  1  0.418725  0.914608  0.249528  1
  Si  Si126  1  0.416530  0.916816  0.583434  1
  Si  Si127  1  0.416678  0.916654  0.916240  1
  Si  Si128  1  0.749508  0.250255  0.249960  1
  Si  Si129  1  0.749286  0.250149  0.583762  1
  Si  Si130  1  0.749563  0.250242  0.916146  1
  Si  Si131  1  0.749291  0.584047  0.249865  1
  Si  Si132  1  0.749786  0.583561  0.583161  1
  Si  Si133  1  0.749776  0.583566  0.916480  1
  Si  Si134  1  0.749483  0.916466  0.249937  1
  Si  Si135  1  0.749764  0.916848  0.583181  1
  Si  Si136  1  0.749572  0.916686  0.916404  1
  Si  Si137  1  0.166484  0.994668  0.166506  1
  Si  Si138  1  0.166640  0.999689  0.500694  1
  Si  Si139  1  0.166298  0.999675  0.832351  1
  Si  Si140  1  0.166476  0.339004  0.166499  1
  Si  Si141  1  0.166323  0.333986  0.500725  1
  Si  Si142  1  0.166726  0.333982  0.832376  1
  Si  Si143  1  0.166465  0.666819  0.166492  1
  Si  Si144  1  0.166473  0.666850  0.500212  1
  Si  Si145  1  0.166506  0.666804  0.832841  1
  Si  Si146  1  0.500658  0.999695  0.166686  1
  Si  Si147  1  0.500992  0.999881  0.501045  1
  Si  Si148  1  0.499878  0.000204  0.833095  1
  Si  Si149  1  0.500690  0.333997  0.166356  1
  Si  Si150  1  0.499861  0.333556  0.499903  1
  Si  Si151  1  0.501042  0.333842  0.832034  1
  Si  Si152  1  0.500190  0.666848  0.166506  1
  Si  Si153  1  0.499822  0.666782  0.499860  1
  Si  Si154  1  0.499864  0.666999  0.833112  1
  Si  Si155  1  0.832326  0.999673  0.166329  1
  Si  Si156  1  0.833069  0.000199  0.499918  1
  Si  Si157  1  0.831988  0.999791  0.832022  1
  Si  Si158  1  0.832350  0.333972  0.166761  1
  Si  Si159  1  0.832002  0.333841  0.501061  1
  Si  Si160  1  0.833083  0.333520  0.833112  1
  Si  Si161  1  0.832814  0.666809  0.166540  1
  Si  Si162  1  0.833077  0.666989  0.499899  1
  Si  Si163  1  0.833058  0.666747  0.833097  1
  Si  Si164  1  0.075481  0.075874  0.075517  1
  Si  Si165  1  0.081954  0.082315  0.418419  1
  Si  Si166  1  0.083070  0.083408  0.749539  1
  Si  Si167  1  0.081967  0.418753  0.081997  1
  Si  Si168  1  0.083505  0.419054  0.418790  1
  Si  Si169  1  0.083094  0.417218  0.749585  1
  Si  Si170  1  0.083037  0.749844  0.083084  1
  Si  Si171  1  0.083020  0.749885  0.416940  1
  Si  Si172  1  0.083183  0.749592  0.749316  1
  Si  Si173  1  0.418402  0.082311  0.081980  1
  Si  Si174  1  0.418718  0.083860  0.418756  1
  Si  Si175  1  0.416877  0.083436  0.749518  1
  Si  Si176  1  0.418755  0.419056  0.083531  1
  Si  Si177  1  0.416688  0.417115  0.416725  1
  Si  Si178  1  0.416652  0.416965  0.749609  1
  Si  Si179  1  0.416904  0.749871  0.083061  1
  Si  Si180  1  0.416502  0.749962  0.416573  1
  Si  Si181  1  0.416480  0.750197  0.749795  1
  Si  Si182  1  0.749507  0.083400  0.083101  1
  Si  Si183  1  0.749492  0.083430  0.416914  1
  Si  Si184  1  0.749280  0.083498  0.749317  1
  Si  Si185  1  0.749563  0.417213  0.083131  1
  Si  Si186  1  0.749572  0.416962  0.416680  1
  Si  Si187  1  0.749764  0.416900  0.749816  1
  Si  Si188  1  0.749286  0.749596  0.083223  1
  Si  Si189  1  0.749757  0.750192  0.416529  1
  Si  Si190  1  0.749768  0.750217  0.749823  1
  Si  Si191  1  0.166469  0.166855  0.994345  1
  Si  Si192  1  0.166493  0.166839  0.338684  1
  Si  Si193  1  0.166466  0.166868  0.666546  1
  Si  Si194  1  0.166728  0.500986  0.999388  1
  Si  Si195  1  0.166305  0.501004  0.333691  1
  Si  Si196  1  0.166511  0.500524  0.666551  1
  Si  Si197  1  0.166320  0.832631  0.999376  1
  Si  Si198  1  0.166638  0.832679  0.333680  1
  Si  Si199  1  0.166466  0.833143  0.666523  1
  Si  Si200  1  0.500697  0.167017  0.999378  1
  Si  Si201  1  0.500655  0.166700  0.333679  1
  Si  Si202  1  0.500189  0.166865  0.666521  1
  Si  Si203  1  0.501032  0.501340  0.999535  1
  Si  Si204  1  0.499883  0.500273  0.333178  1
  Si  Si205  1  0.499874  0.500272  0.666391  1
  Si  Si206  1  0.499847  0.833484  0.999821  1
  Si  Si207  1  0.501000  0.832332  0.333516  1
  Si  Si208  1  0.499830  0.833511  0.666600  1
  Si  Si209  1  0.832346  0.166602  0.999381  1
  Si  Si210  1  0.832328  0.167034  0.333691  1
  Si  Si211  1  0.832808  0.166824  0.666552  1
  Si  Si212  1  0.833082  0.500251  0.999857  1
  Si  Si213  1  0.831996  0.501339  0.333571  1
  Si  Si214  1  0.833063  0.500271  0.666634  1
  Si  Si215  1  0.831993  0.832299  0.999531  1
  Si  Si216  1  0.833062  0.833454  0.333172  1
  Si  Si217  1  0.833071  0.833467  0.666386  1