# generated using pymatgen
data_CaSi215
_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   CaSi215
_chemical_formula_sum   'Ca1 Si215'
_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  0.215168  0.216604  0.052982  1
  Si  Si2  1  0.250361  0.250436  0.417132  1
  Si  Si3  1  0.250157  0.250157  0.749957  1
  Si  Si4  1  0.250385  0.583884  0.083733  1
  Si  Si5  1  0.250617  0.584107  0.417456  1
  Si  Si6  1  0.250076  0.583941  0.749832  1
  Si  Si7  1  0.250129  0.916435  0.083337  1
  Si  Si8  1  0.249983  0.916429  0.417443  1
  Si  Si9  1  0.250645  0.914633  0.747889  1
  Si  Si10  1  0.583778  0.250405  0.083650  1
  Si  Si11  1  0.583868  0.250532  0.417209  1
  Si  Si12  1  0.584074  0.250049  0.749796  1
  Si  Si13  1  0.583773  0.583671  0.083830  1
  Si  Si14  1  0.583797  0.583761  0.417051  1
  Si  Si15  1  0.583639  0.583646  0.750424  1
  Si  Si16  1  0.584231  0.916329  0.083266  1
  Si  Si17  1  0.583558  0.917272  0.416842  1
  Si  Si18  1  0.583471  0.916983  0.750287  1
  Si  Si19  1  0.916390  0.250050  0.083501  1
  Si  Si20  1  0.916467  0.250010  0.417483  1
  Si  Si21  1  0.914454  0.250588  0.747741  1
  Si  Si22  1  0.916463  0.584125  0.083322  1
  Si  Si23  1  0.917124  0.583641  0.416957  1
  Si  Si24  1  0.917059  0.583463  0.750401  1
  Si  Si25  1  0.914321  0.914334  0.084012  1
  Si  Si26  1  0.917001  0.917012  0.416817  1
  Si  Si27  1  0.917164  0.917118  0.750377  1
  Si  Si28  1  0.997872  0.997867  0.000902  1
  Si  Si29  1  0.000618  0.000549  0.333650  1
  Si  Si30  1  0.000549  0.000516  0.667017  1
  Si  Si31  1  0.000045  0.334367  0.001589  1
  Si  Si32  1  0.999676  0.333946  0.334743  1
  Si  Si33  1  0.000051  0.333697  0.666911  1
  Si  Si34  1  0.000329  0.667139  0.000320  1
  Si  Si35  1  0.000292  0.666941  0.333805  1
  Si  Si36  1  0.000321  0.667008  0.667211  1
  Si  Si37  1  0.334535  0.000020  0.001458  1
  Si  Si38  1  0.333902  0.999565  0.334601  1
  Si  Si39  1  0.333741  0.000098  0.666893  1
  Si  Si40  1  0.336356  0.336239  0.000461  1
  Si  Si41  1  0.334078  0.333963  0.334431  1
  Si  Si42  1  0.333755  0.333698  0.667142  1
  Si  Si43  1  0.333713  0.667197  0.000308  1
  Si  Si44  1  0.333782  0.667335  0.333878  1
  Si  Si45  1  0.333792  0.667162  0.666856  1
  Si  Si46  1  0.667212  0.000189  0.000244  1
  Si  Si47  1  0.667025  0.000396  0.333795  1
  Si  Si48  1  0.666979  0.000278  0.667055  1
  Si  Si49  1  0.667196  0.333667  0.000268  1
  Si  Si50  1  0.667254  0.333727  0.333846  1
  Si  Si51  1  0.667275  0.333860  0.666913  1
  Si  Si52  1  0.666631  0.666499  0.000187  1
  Si  Si53  1  0.667157  0.667104  0.333758  1
  Si  Si54  1  0.667054  0.667084  0.667029  1
  Si  Si55  1  0.251462  0.083718  0.250838  1
  Si  Si56  1  0.250421  0.083581  0.583751  1
  Si  Si57  1  0.252959  0.080739  0.913966  1
  Si  Si58  1  0.251506  0.418509  0.251705  1
  Si  Si59  1  0.250472  0.416991  0.583725  1
  Si  Si60  1  0.251655  0.417332  0.917424  1
  Si  Si61  1  0.250354  0.750440  0.250349  1
  Si  Si62  1  0.250139  0.749623  0.583023  1
  Si  Si63  1  0.250537  0.750397  0.916796  1
  Si  Si64  1  0.583765  0.083876  0.250316  1
  Si  Si65  1  0.583785  0.083601  0.583490  1
  Si  Si66  1  0.583863  0.083786  0.917060  1
  Si  Si67  1  0.584139  0.417233  0.250561  1
  Si  Si68  1  0.583817  0.417101  0.583869  1
  Si  Si69  1  0.583766  0.417101  0.917132  1
  Si  Si70  1  0.583875  0.750517  0.250365  1
  Si  Si71  1  0.583665  0.750493  0.583684  1
  Si  Si72  1  0.583806  0.750104  0.916811  1
  Si  Si73  1  0.917149  0.083620  0.250341  1
  Si  Si74  1  0.916978  0.083541  0.583635  1
  Si  Si75  1  0.917293  0.083739  0.917019  1
  Si  Si76  1  0.917195  0.416937  0.250291  1
  Si  Si77  1  0.917233  0.417102  0.583627  1
  Si  Si78  1  0.917147  0.416969  0.916941  1
  Si  Si79  1  0.917123  0.750222  0.250469  1
  Si  Si80  1  0.917084  0.750351  0.583708  1
  Si  Si81  1  0.916989  0.750348  0.916820  1
  Si  Si82  1  0.000163  0.168240  0.167764  1
  Si  Si83  1  0.000355  0.167017  0.500474  1
  Si  Si84  1  0.998142  0.167675  0.831454  1
  Si  Si85  1  0.999632  0.501404  0.167251  1
  Si  Si86  1  0.000293  0.500545  0.500371  1
  Si  Si87  1  0.000702  0.500279  0.833918  1
  Si  Si88  1  0.999963  0.833511  0.167100  1
  Si  Si89  1  0.000297  0.833759  0.500298  1
  Si  Si90  1  0.000574  0.833726  0.833804  1
  Si  Si91  1  0.338119  0.165731  0.170909  1
  Si  Si92  1  0.333637  0.167069  0.500536  1
  Si  Si93  1  0.334659  0.168353  0.833517  1
  Si  Si94  1  0.334169  0.501209  0.167213  1
  Si  Si95  1  0.333837  0.500513  0.500593  1
  Si  Si96  1  0.333879  0.501165  0.833171  1
  Si  Si97  1  0.333714  0.833691  0.166946  1
  Si  Si98  1  0.333807  0.833535  0.500641  1
  Si  Si99  1  0.333765  0.833553  0.833276  1
  Si  Si100  1  0.667182  0.167029  0.166929  1
  Si  Si101  1  0.666743  0.166920  0.499966  1
  Si  Si102  1  0.667188  0.167019  0.833544  1
  Si  Si103  1  0.667301  0.500477  0.167062  1
  Si  Si104  1  0.667120  0.500441  0.500406  1
  Si  Si105  1  0.667024  0.500559  0.833629  1
  Si  Si106  1  0.667401  0.833484  0.167090  1
  Si  Si107  1  0.666991  0.833898  0.500319  1
  Si  Si108  1  0.666998  0.833684  0.833524  1
  Si  Si109  1  0.083882  0.251463  0.251060  1
  Si  Si110  1  0.083585  0.250441  0.583775  1
  Si  Si111  1  0.080430  0.252724  0.913768  1
  Si  Si112  1  0.083916  0.583756  0.250405  1
  Si  Si113  1  0.083563  0.583753  0.583634  1
  Si  Si114  1  0.083914  0.583776  0.917129  1
  Si  Si115  1  0.083607  0.917022  0.250319  1
  Si  Si116  1  0.083511  0.916916  0.583622  1
  Si  Si117  1  0.083803  0.917338  0.917076  1
  Si  Si118  1  0.418115  0.251248  0.251285  1
  Si  Si119  1  0.417040  0.250352  0.583776  1
  Si  Si120  1  0.417490  0.251653  0.917396  1
  Si  Si121  1  0.417384  0.584197  0.250638  1
  Si  Si122  1  0.417115  0.583781  0.583803  1
  Si  Si123  1  0.417088  0.583733  0.917149  1
  Si  Si124  1  0.416994  0.917153  0.250178  1
  Si  Si125  1  0.417065  0.917267  0.583555  1
  Si  Si126  1  0.417082  0.916951  0.916913  1
  Si  Si127  1  0.750381  0.250312  0.250363  1
  Si  Si128  1  0.749551  0.250264  0.582830  1
  Si  Si129  1  0.750437  0.250443  0.916832  1
  Si  Si130  1  0.750534  0.583796  0.250332  1
  Si  Si131  1  0.750432  0.583664  0.583726  1
  Si  Si132  1  0.750328  0.583684  0.916913  1
  Si  Si133  1  0.750253  0.917235  0.250427  1
  Si  Si134  1  0.750394  0.917041  0.583654  1
  Si  Si135  1  0.750341  0.916895  0.916633  1
  Si  Si136  1  0.168150  0.000018  0.167673  1
  Si  Si137  1  0.167023  0.000287  0.500484  1
  Si  Si138  1  0.167797  0.998389  0.831685  1
  Si  Si139  1  0.165637  0.338760  0.171716  1
  Si  Si140  1  0.167029  0.333711  0.500573  1
  Si  Si141  1  0.168229  0.334534  0.833569  1
  Si  Si142  1  0.166991  0.667268  0.167001  1
  Si  Si143  1  0.166817  0.666822  0.500172  1
  Si  Si144  1  0.167119  0.667118  0.833580  1
  Si  Si145  1  0.501485  0.999547  0.167112  1
  Si  Si146  1  0.500465  0.000383  0.500270  1
  Si  Si147  1  0.500325  0.000567  0.833875  1
  Si  Si148  1  0.500993  0.334097  0.167147  1
  Si  Si149  1  0.500593  0.333724  0.500674  1
  Si  Si150  1  0.501313  0.333831  0.833126  1
  Si  Si151  1  0.500634  0.667274  0.167079  1
  Si  Si152  1  0.500480  0.667121  0.500403  1
  Si  Si153  1  0.500488  0.666985  0.833555  1
  Si  Si154  1  0.833568  0.000059  0.167078  1
  Si  Si155  1  0.833815  0.000335  0.500324  1
  Si  Si156  1  0.833702  0.000546  0.833694  1
  Si  Si157  1  0.833666  0.333693  0.167082  1
  Si  Si158  1  0.833551  0.333925  0.500581  1
  Si  Si159  1  0.833625  0.333688  0.833350  1
  Si  Si160  1  0.833529  0.667286  0.167090  1
  Si  Si161  1  0.833757  0.667091  0.500398  1
  Si  Si162  1  0.833835  0.667001  0.833647  1
  Si  Si163  1  0.080062  0.080059  0.085921  1
  Si  Si164  1  0.083833  0.083798  0.417078  1
  Si  Si165  1  0.083788  0.083763  0.750676  1
  Si  Si166  1  0.083692  0.417845  0.084637  1
  Si  Si167  1  0.083895  0.417139  0.417130  1
  Si  Si168  1  0.083723  0.416956  0.750360  1
  Si  Si169  1  0.083491  0.750436  0.083795  1
  Si  Si170  1  0.083546  0.750219  0.417033  1
  Si  Si171  1  0.083596  0.750345  0.750269  1
  Si  Si172  1  0.417909  0.083606  0.084546  1
  Si  Si173  1  0.416954  0.083899  0.417045  1
  Si  Si174  1  0.417023  0.083693  0.750391  1
  Si  Si175  1  0.417572  0.417655  0.084209  1
  Si  Si176  1  0.417411  0.417241  0.417489  1
  Si  Si177  1  0.417033  0.416942  0.750590  1
  Si  Si178  1  0.417102  0.750362  0.083650  1
  Si  Si179  1  0.417082  0.750542  0.417130  1
  Si  Si180  1  0.417074  0.750212  0.750404  1
  Si  Si181  1  0.750379  0.083477  0.083768  1
  Si  Si182  1  0.750318  0.083622  0.417032  1
  Si  Si183  1  0.750315  0.083551  0.750124  1
  Si  Si184  1  0.750417  0.416957  0.083663  1
  Si  Si185  1  0.750505  0.417091  0.417059  1
  Si  Si186  1  0.750292  0.417104  0.750568  1
  Si  Si187  1  0.749545  0.749454  0.083370  1
  Si  Si188  1  0.750374  0.750474  0.417043  1
  Si  Si189  1  0.750424  0.750320  0.750296  1
  Si  Si190  1  0.116502  0.116325  0.949613  1
  Si  Si191  1  0.167313  0.167143  0.333603  1
  Si  Si192  1  0.166711  0.166689  0.666693  1
  Si  Si193  1  0.167357  0.500303  0.000446  1
  Si  Si194  1  0.167248  0.501237  0.334541  1
  Si  Si195  1  0.166886  0.500230  0.666816  1
  Si  Si196  1  0.166674  0.833223  0.999924  1
  Si  Si197  1  0.166836  0.833516  0.333605  1
  Si  Si198  1  0.166745  0.832337  0.665624  1
  Si  Si199  1  0.500364  0.167227  0.000348  1
  Si  Si200  1  0.500956  0.167155  0.334251  1
  Si  Si201  1  0.500338  0.166823  0.666834  1
  Si  Si202  1  0.500750  0.500732  0.000504  1
  Si  Si203  1  0.500531  0.500434  0.333767  1
  Si  Si204  1  0.500397  0.500412  0.667113  1
  Si  Si205  1  0.500381  0.833404  0.000117  1
  Si  Si206  1  0.500426  0.833746  0.333679  1
  Si  Si207  1  0.500188  0.833736  0.666993  1
  Si  Si208  1  0.833241  0.166604  0.999981  1
  Si  Si209  1  0.833604  0.166860  0.333579  1
  Si  Si210  1  0.832163  0.166744  0.665402  1
  Si  Si211  1  0.833581  0.500206  0.000186  1
  Si  Si212  1  0.833754  0.500435  0.333699  1
  Si  Si213  1  0.833729  0.500256  0.667089  1
  Si  Si214  1  0.832128  0.832154  0.999937  1
  Si  Si215  1  0.833669  0.833735  0.333576  1
  Si  Si216  1  0.833796  0.833754  0.667049  1