# generated using pymatgen
data_CaSi216
_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   CaSi216
_chemical_formula_sum   'Ca1 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
  Ca  Ca1  1  0.166376  0.167111  0.166166  1
  Si  Si2  1  0.257866  0.257944  0.075383  1
  Si  Si3  1  0.251007  0.251568  0.418548  1
  Si  Si4  1  0.250000  0.250346  0.748963  1
  Si  Si5  1  0.249999  0.584367  0.082987  1
  Si  Si6  1  0.250250  0.583952  0.417034  1
  Si  Si7  1  0.249775  0.584077  0.749217  1
  Si  Si8  1  0.251023  0.914738  0.081718  1
  Si  Si9  1  0.249151  0.915016  0.418294  1
  Si  Si10  1  0.250261  0.916276  0.749345  1
  Si  Si11  1  0.583535  0.250198  0.083113  1
  Si  Si12  1  0.583547  0.250230  0.416917  1
  Si  Si13  1  0.583596  0.250068  0.749174  1
  Si  Si14  1  0.583572  0.584099  0.083259  1
  Si  Si15  1  0.583329  0.583342  0.416673  1
  Si  Si16  1  0.583339  0.583339  0.749995  1
  Si  Si17  1  0.583614  0.916367  0.083018  1
  Si  Si18  1  0.583348  0.916661  0.416670  1
  Si  Si19  1  0.583330  0.916661  0.749991  1
  Si  Si20  1  0.914076  0.251594  0.081738  1
  Si  Si21  1  0.914364  0.249502  0.418306  1
  Si  Si22  1  0.916018  0.250381  0.749232  1
  Si  Si23  1  0.916011  0.584090  0.082949  1
  Si  Si24  1  0.916443  0.583767  0.416654  1
  Si  Si25  1  0.916654  0.583339  0.749993  1
  Si  Si26  1  0.914352  0.914988  0.083796  1
  Si  Si27  1  0.916640  0.916656  0.416676  1
  Si  Si28  1  0.916468  0.916674  0.749505  1
  Si  Si29  1  0.993638  0.994140  0.993517  1
  Si  Si30  1  0.999619  0.000089  0.333215  1
  Si  Si31  1  0.999665  0.999928  0.666205  1
  Si  Si32  1  0.999642  0.333749  0.999558  1
  Si  Si33  1  0.993639  0.339777  0.339135  1
  Si  Si34  1  0.999904  0.333469  0.666473  1
  Si  Si35  1  0.999896  0.666817  0.999811  1
  Si  Si36  1  0.999653  0.667084  0.333404  1
  Si  Si37  1  0.999825  0.666698  0.666600  1
  Si  Si38  1  0.333316  0.000061  0.999531  1
  Si  Si39  1  0.339057  0.994366  0.338916  1
  Si  Si40  1  0.333391  0.999966  0.666461  1
  Si  Si41  1  0.339330  0.339782  0.993476  1
  Si  Si42  1  0.333286  0.333749  0.333237  1
  Si  Si43  1  0.333457  0.333756  0.666208  1
  Si  Si44  1  0.333452  0.667100  0.999559  1
  Si  Si45  1  0.333386  0.666857  0.333357  1
  Si  Si46  1  0.333423  0.666894  0.666431  1
  Si  Si47  1  0.666320  0.999938  0.999505  1
  Si  Si48  1  0.666515  0.999966  0.333353  1
  Si  Si49  1  0.666490  0.999924  0.666464  1
  Si  Si50  1  0.666602  0.333549  0.999773  1
  Si  Si51  1  0.666303  0.333755  0.333406  1
  Si  Si52  1  0.666695  0.333515  0.666554  1
  Si  Si53  1  0.666680  0.666761  0.999825  1
  Si  Si54  1  0.666504  0.666839  0.333402  1
  Si  Si55  1  0.666663  0.666684  0.666646  1
  Si  Si56  1  0.257324  0.076041  0.257207  1
  Si  Si57  1  0.250004  0.083334  0.583345  1
  Si  Si58  1  0.251089  0.082290  0.913998  1
  Si  Si59  1  0.251091  0.419294  0.251016  1
  Si  Si60  1  0.250063  0.417472  0.583515  1
  Si  Si61  1  0.249048  0.419018  0.914269  1
  Si  Si62  1  0.250003  0.749987  0.249998  1
  Si  Si63  1  0.249993  0.749978  0.583353  1
  Si  Si64  1  0.250085  0.749773  0.915795  1
  Si  Si65  1  0.583358  0.083333  0.249996  1
  Si  Si66  1  0.583434  0.083372  0.583401  1
  Si  Si67  1  0.583582  0.083291  0.915761  1
  Si  Si68  1  0.583571  0.417488  0.250030  1
  Si  Si69  1  0.583331  0.416680  0.583327  1
  Si  Si70  1  0.583430  0.416806  0.916499  1
  Si  Si71  1  0.583468  0.749892  0.249942  1
  Si  Si72  1  0.583335  0.750004  0.583325  1
  Si  Si73  1  0.583333  0.750004  0.916655  1
  Si  Si74  1  0.914162  0.082374  0.250940  1
  Si  Si75  1  0.916015  0.083287  0.583453  1
  Si  Si76  1  0.914341  0.084298  0.914234  1
  Si  Si77  1  0.914358  0.419094  0.248989  1
  Si  Si78  1  0.916597  0.416763  0.583387  1
  Si  Si79  1  0.916342  0.417004  0.916302  1
  Si  Si80  1  0.916006  0.749853  0.250037  1
  Si  Si81  1  0.916659  0.750005  0.583327  1
  Si  Si82  1  0.916583  0.749929  0.916531  1
  Si  Si83  1  0.993320  0.167005  0.166322  1
  Si  Si84  1  0.999225  0.167081  0.500795  1
  Si  Si85  1  0.999312  0.166609  0.831705  1
  Si  Si86  1  0.999341  0.501597  0.166669  1
  Si  Si87  1  0.999420  0.501261  0.500880  1
  Si  Si88  1  0.999912  0.500116  0.833206  1
  Si  Si89  1  0.999208  0.832467  0.166191  1
  Si  Si90  1  0.999960  0.833369  0.499942  1
  Si  Si91  1  0.999415  0.832417  0.832020  1
  Si  Si92  1  0.339604  0.166926  0.166357  1
  Si  Si93  1  0.333607  0.166684  0.500746  1
  Si  Si94  1  0.333708  0.167042  0.831650  1
  Si  Si95  1  0.333714  0.501630  0.166260  1
  Si  Si96  1  0.333391  0.500143  0.499900  1
  Si  Si97  1  0.333630  0.501366  0.831930  1
  Si  Si98  1  0.333624  0.832563  0.166625  1
  Si  Si99  1  0.333673  0.832667  0.500662  1
  Si  Si100  1  0.333395  0.833429  0.833163  1
  Si  Si101  1  0.666289  0.166748  0.166570  1
  Si  Si102  1  0.666535  0.166679  0.500098  1
  Si  Si103  1  0.666483  0.166864  0.832690  1
  Si  Si104  1  0.666463  0.500617  0.166471  1
  Si  Si105  1  0.666552  0.500105  0.500074  1
  Si  Si106  1  0.666751  0.500084  0.833249  1
  Si  Si107  1  0.666547  0.833226  0.166640  1
  Si  Si108  1  0.666696  0.833313  0.500018  1
  Si  Si109  1  0.666544  0.833248  0.833215  1
  Si  Si110  1  0.075428  0.258059  0.257363  1
  Si  Si111  1  0.083287  0.250065  0.583372  1
  Si  Si112  1  0.081867  0.251522  0.914046  1
  Si  Si113  1  0.083047  0.584349  0.249931  1
  Si  Si114  1  0.083300  0.584044  0.583500  1
  Si  Si115  1  0.082971  0.584045  0.915907  1
  Si  Si116  1  0.081821  0.914803  0.250921  1
  Si  Si117  1  0.083204  0.916481  0.583408  1
  Si  Si118  1  0.083876  0.914919  0.914256  1
  Si  Si119  1  0.418649  0.251588  0.250972  1
  Si  Si120  1  0.416930  0.250215  0.583437  1
  Si  Si121  1  0.418510  0.249516  0.914181  1
  Si  Si122  1  0.417073  0.583956  0.250209  1
  Si  Si123  1  0.416673  0.583343  0.583327  1
  Si  Si124  1  0.416667  0.583760  0.916364  1
  Si  Si125  1  0.418433  0.914972  0.249032  1
  Si  Si126  1  0.416675  0.916663  0.583342  1
  Si  Si127  1  0.416725  0.916615  0.916550  1
  Si  Si128  1  0.749006  0.250340  0.249917  1
  Si  Si129  1  0.749425  0.250050  0.583467  1
  Si  Si130  1  0.749351  0.250389  0.915885  1
  Si  Si131  1  0.749326  0.584110  0.249712  1
  Si  Si132  1  0.749994  0.583340  0.583337  1
  Si  Si133  1  0.749997  0.583339  0.916655  1
  Si  Si134  1  0.749490  0.916348  0.250177  1
  Si  Si135  1  0.749992  0.916661  0.583326  1
  Si  Si136  1  0.749679  0.916695  0.916329  1
  Si  Si137  1  0.166401  0.993906  0.166288  1
  Si  Si138  1  0.166700  0.999784  0.500691  1
  Si  Si139  1  0.166320  0.999648  0.831667  1
  Si  Si140  1  0.166581  0.340127  0.166353  1
  Si  Si141  1  0.166298  0.334202  0.500893  1
  Si  Si142  1  0.166729  0.334094  0.831694  1
  Si  Si143  1  0.166618  0.667055  0.166576  1
  Si  Si144  1  0.166666  0.666887  0.500083  1
  Si  Si145  1  0.166508  0.666894  0.832700  1
  Si  Si146  1  0.500894  0.999698  0.166556  1
  Si  Si147  1  0.500730  0.999705  0.500697  1
  Si  Si148  1  0.499911  0.999958  0.833163  1
  Si  Si149  1  0.501002  0.334225  0.166178  1
  Si  Si150  1  0.500016  0.333435  0.499945  1
  Si  Si151  1  0.500984  0.333985  0.831949  1
  Si  Si152  1  0.500116  0.666866  0.166636  1
  Si  Si153  1  0.500034  0.666649  0.500023  1
  Si  Si154  1  0.500092  0.666799  0.833205  1
  Si  Si155  1  0.831772  0.999745  0.166233  1
  Si  Si156  1  0.833223  0.999954  0.499897  1
  Si  Si157  1  0.832035  0.999707  0.831861  1
  Si  Si158  1  0.831755  0.334121  0.166720  1
  Si  Si159  1  0.832155  0.333950  0.500863  1
  Si  Si160  1  0.833266  0.333429  0.833167  1
  Si  Si161  1  0.832841  0.666954  0.166510  1
  Si  Si162  1  0.833227  0.666796  0.500081  1
  Si  Si163  1  0.833261  0.666600  0.833249  1
  Si  Si164  1  0.075418  0.075881  0.075275  1
  Si  Si165  1  0.081845  0.082381  0.418463  1
  Si  Si166  1  0.083053  0.083376  0.748971  1
  Si  Si167  1  0.081904  0.419259  0.081755  1
  Si  Si168  1  0.083878  0.419030  0.418364  1
  Si  Si169  1  0.082963  0.417400  0.749260  1
  Si  Si170  1  0.083248  0.749917  0.083187  1
  Si  Si171  1  0.083198  0.749906  0.416845  1
  Si  Si172  1  0.083301  0.749798  0.749232  1
  Si  Si173  1  0.418691  0.082321  0.081717  1
  Si  Si174  1  0.418388  0.084262  0.418320  1
  Si  Si175  1  0.417085  0.083109  0.749326  1
  Si  Si176  1  0.418489  0.419100  0.083760  1
  Si  Si177  1  0.416701  0.416736  0.416691  1
  Si  Si178  1  0.416671  0.416975  0.749537  1
  Si  Si179  1  0.416960  0.749861  0.083089  1
  Si  Si180  1  0.416676  0.749988  0.416671  1
  Si  Si181  1  0.416675  0.750005  0.749991  1
  Si  Si182  1  0.749004  0.083406  0.082984  1
  Si  Si183  1  0.749488  0.083133  0.416977  1
  Si  Si184  1  0.749333  0.083608  0.749183  1
  Si  Si185  1  0.749344  0.417442  0.082945  1
  Si  Si186  1  0.749666  0.416945  0.416633  1
  Si  Si187  1  0.749995  0.416679  0.749992  1
  Si  Si188  1  0.749432  0.749844  0.083271  1
  Si  Si189  1  0.749992  0.750007  0.416672  1
  Si  Si190  1  0.749996  0.749996  0.749993  1
  Si  Si191  1  0.166575  0.166940  0.993177  1
  Si  Si192  1  0.166409  0.167022  0.339332  1
  Si  Si193  1  0.166637  0.166737  0.666287  1
  Si  Si194  1  0.166756  0.501631  0.999210  1
  Si  Si195  1  0.166325  0.501632  0.333650  1
  Si  Si196  1  0.166511  0.500598  0.666411  1
  Si  Si197  1  0.166300  0.832379  0.999065  1
  Si  Si198  1  0.166689  0.832612  0.333541  1
  Si  Si199  1  0.166667  0.833240  0.666436  1
  Si  Si200  1  0.501029  0.167107  0.999066  1
  Si  Si201  1  0.500829  0.166722  0.333573  1
  Si  Si202  1  0.500119  0.166695  0.666423  1
  Si  Si203  1  0.500985  0.501333  0.999323  1
  Si  Si204  1  0.499920  0.500149  0.333372  1
  Si  Si205  1  0.500098  0.500130  0.666518  1
  Si  Si206  1  0.500023  0.833361  0.999881  1
  Si  Si207  1  0.500749  0.832596  0.333623  1
  Si  Si208  1  0.500037  0.833304  0.666680  1
  Si  Si209  1  0.831752  0.166610  0.999210  1
  Si  Si210  1  0.831768  0.167073  0.333568  1
  Si  Si211  1  0.832845  0.166824  0.666353  1
  Si  Si212  1  0.833265  0.500136  0.999895  1
  Si  Si213  1  0.832027  0.501421  0.333598  1
  Si  Si214  1  0.833264  0.500076  0.666734  1
  Si  Si215  1  0.832146  0.832450  0.999339  1
  Si  Si216  1  0.833222  0.833434  0.333366  1
  Si  Si217  1  0.833224  0.833249  0.666534  1
