# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.36519913
_cell_length_b   28.63396287
_cell_length_c   47.65561071
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr432
_cell_volume   21985.1983083
_cell_formula_units_Z   432
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  0.149990  0.791108  0.279220  1
  Zr  Zr2  1  0.816228  0.623990  0.279954  1
  Zr  Zr3  1  0.769693  0.778308  0.302939  1
  Zr  Zr4  1  0.149469  0.290691  0.279905  1
  Zr  Zr5  1  0.102586  0.445259  0.302884  1
  Zr  Zr6  1  0.054289  0.601245  0.328860  1
  Zr  Zr7  1  0.483383  0.457746  0.279271  1
  Zr  Zr8  1  0.435858  0.611862  0.302961  1
  Zr  Zr9  1  0.388345  0.767350  0.329869  1
  Zr  Zr10  1  0.816809  0.124443  0.279083  1
  Zr  Zr11  1  0.769225  0.278591  0.302954  1
  Zr  Zr12  1  0.721739  0.434077  0.329919  1
  Zr  Zr13  1  0.102703  0.945247  0.302874  1
  Zr  Zr14  1  0.055134  0.100703  0.329835  1
  Zr  Zr15  1  0.483491  0.957677  0.279046  1
  Zr  Zr16  1  0.435612  0.112185  0.302812  1
  Zr  Zr17  1  0.387668  0.267892  0.328886  1
  Zr  Zr18  1  0.721663  0.934028  0.329864  1
  Zr  Zr19  1  0.292370  0.700878  0.290775  1
  Zr  Zr20  1  0.959685  0.535256  0.290880  1
  Zr  Zr21  1  0.912414  0.689885  0.315634  1
  Zr  Zr22  1  0.292947  0.202053  0.290850  1
  Zr  Zr23  1  0.245623  0.356544  0.315644  1
  Zr  Zr24  1  0.197691  0.511330  0.342300  1
  Zr  Zr25  1  0.625792  0.367601  0.290823  1
  Zr  Zr26  1  0.578322  0.523864  0.316404  1
  Zr  Zr27  1  0.531303  0.677708  0.342289  1
  Zr  Zr28  1  0.959407  0.034186  0.290640  1
  Zr  Zr29  1  0.911674  0.190519  0.316323  1
  Zr  Zr30  1  0.864643  0.344447  0.342284  1
  Zr  Zr31  1  0.245014  0.857259  0.316322  1
  Zr  Zr32  1  0.198075  0.011046  0.342206  1
  Zr  Zr33  1  0.626135  0.867370  0.290641  1
  Zr  Zr34  1  0.578214  0.023917  0.316302  1
  Zr  Zr35  1  0.531091  0.177954  0.342286  1
  Zr  Zr36  1  0.864638  0.844425  0.342259  1
  Zr  Zr37  1  0.102098  0.695506  0.302908  1
  Zr  Zr38  1  0.769545  0.528990  0.303086  1
  Zr  Zr39  1  0.721245  0.684507  0.328961  1
  Zr  Zr40  1  0.102839  0.195689  0.303038  1
  Zr  Zr41  1  0.054478  0.351289  0.328885  1
  Zr  Zr42  1  0.149573  0.540300  0.280022  1
  Zr  Zr43  1  0.435518  0.362111  0.302980  1
  Zr  Zr44  1  0.387503  0.517878  0.328984  1
  Zr  Zr45  1  0.482690  0.707441  0.279279  1
  Zr  Zr46  1  0.769242  0.029029  0.303091  1
  Zr  Zr47  1  0.720934  0.184521  0.328913  1
  Zr  Zr48  1  0.816107  0.374242  0.279296  1
  Zr  Zr49  1  0.054297  0.851267  0.328944  1
  Zr  Zr50  1  0.149748  0.040842  0.279229  1
  Zr  Zr51  1  0.435930  0.862308  0.303023  1
  Zr  Zr52  1  0.387676  0.017937  0.328806  1
  Zr  Zr53  1  0.482986  0.207052  0.280007  1
  Zr  Zr54  1  0.816256  0.874112  0.279283  1
  Zr  Zr55  1  0.339733  0.795550  0.267720  1
  Zr  Zr56  1  0.864498  0.594673  0.342276  1
  Zr  Zr57  1  0.959945  0.785727  0.290860  1
  Zr  Zr58  1  0.197737  0.261394  0.342237  1
  Zr  Zr59  1  0.293511  0.452103  0.290974  1
  Zr  Zr60  1  0.245364  0.606411  0.315666  1
  Zr  Zr61  1  0.673140  0.462312  0.267780  1
  Zr  Zr62  1  0.626020  0.618941  0.290870  1
  Zr  Zr63  1  0.578896  0.772966  0.315646  1
  Zr  Zr64  1  0.006687  0.128949  0.267706  1
  Zr  Zr65  1  0.959297  0.285645  0.290830  1
  Zr  Zr66  1  0.912203  0.439776  0.315655  1
  Zr  Zr67  1  0.293310  0.952312  0.290731  1
  Zr  Zr68  1  0.245491  0.106489  0.315614  1
  Zr  Zr69  1  0.673252  0.962241  0.267734  1
  Zr  Zr70  1  0.626837  0.118774  0.290863  1
  Zr  Zr71  1  0.578785  0.273086  0.315703  1
  Zr  Zr72  1  0.912114  0.939766  0.315663  1
  Zr  Zr73  1  0.007452  0.755081  0.354668  1
  Zr  Zr74  1  0.674337  0.588616  0.354926  1
  Zr  Zr75  1  0.625913  0.743042  0.380579  1
  Zr  Zr76  1  0.007616  0.255329  0.354863  1
  Zr  Zr77  1  0.959269  0.409849  0.380529  1
  Zr  Zr78  1  0.911383  0.564418  0.406255  1
  Zr  Zr79  1  0.340751  0.421739  0.354738  1
  Zr  Zr80  1  0.292559  0.576501  0.380636  1
  Zr  Zr81  1  0.244669  0.731026  0.406186  1
  Zr  Zr82  1  0.674230  0.088655  0.354952  1
  Zr  Zr83  1  0.625973  0.243105  0.380640  1
  Zr  Zr84  1  0.578037  0.397675  0.406242  1
  Zr  Zr85  1  0.959113  0.909815  0.380599  1
  Zr  Zr86  1  0.911422  0.064420  0.406229  1
  Zr  Zr87  1  0.340991  0.921965  0.354862  1
  Zr  Zr88  1  0.292525  0.076519  0.380489  1
  Zr  Zr89  1  0.244662  0.231128  0.406211  1
  Zr  Zr90  1  0.578080  0.897744  0.406166  1
  Zr  Zr91  1  0.149968  0.665811  0.367581  1
  Zr  Zr92  1  0.816989  0.499215  0.367884  1
  Zr  Zr93  1  0.768630  0.653820  0.393588  1
  Zr  Zr94  1  0.150261  0.165907  0.367827  1
  Zr  Zr95  1  0.101896  0.320576  0.393510  1
  Zr  Zr96  1  0.053860  0.475031  0.418964  1
  Zr  Zr97  1  0.483358  0.332449  0.367638  1
  Zr  Zr98  1  0.435214  0.487125  0.393515  1
  Zr  Zr99  1  0.387271  0.641612  0.419131  1
  Zr  Zr100  1  0.816850  0.999282  0.367852  1
  Zr  Zr101  1  0.768684  0.153829  0.393524  1
  Zr  Zr102  1  0.720637  0.308247  0.419144  1
  Zr  Zr103  1  0.101847  0.820471  0.393467  1
  Zr  Zr104  1  0.053867  0.974953  0.419094  1
  Zr  Zr105  1  0.483593  0.832557  0.367797  1
  Zr  Zr106  1  0.435275  0.987214  0.393421  1
  Zr  Zr107  1  0.387119  0.141719  0.418962  1
  Zr  Zr108  1  0.720592  0.808234  0.419053  1
  Zr  Zr109  1  0.959447  0.659912  0.380559  1
  Zr  Zr110  1  0.626085  0.493309  0.380942  1
  Zr  Zr111  1  0.578009  0.647629  0.406362  1
  Zr  Zr112  1  0.959436  0.159974  0.380854  1
  Zr  Zr113  1  0.911341  0.314338  0.406324  1
  Zr  Zr114  1  0.007421  0.505031  0.354617  1
  Zr  Zr115  1  0.292746  0.326603  0.380549  1
  Zr  Zr116  1  0.244588  0.481030  0.406216  1
  Zr  Zr117  1  0.340591  0.671387  0.354841  1
  Zr  Zr118  1  0.625976  0.993363  0.380842  1
  Zr  Zr119  1  0.577895  0.147740  0.406300  1
  Zr  Zr120  1  0.673961  0.338071  0.354876  1
  Zr  Zr121  1  0.911344  0.814265  0.406241  1
  Zr  Zr122  1  0.007308  0.004741  0.354785  1
  Zr  Zr123  1  0.292706  0.826659  0.380873  1
  Zr  Zr124  1  0.244670  0.980995  0.406285  1
  Zr  Zr125  1  0.340651  0.171763  0.354610  1
  Zr  Zr126  1  0.674046  0.837974  0.354762  1
  Zr  Zr127  1  0.197770  0.761396  0.342188  1
  Zr  Zr128  1  0.720773  0.558429  0.419238  1
  Zr  Zr129  1  0.816814  0.748957  0.367696  1
  Zr  Zr130  1  0.054076  0.225133  0.419159  1
  Zr  Zr131  1  0.150025  0.415756  0.367632  1
  Zr  Zr132  1  0.101732  0.570509  0.393445  1
  Zr  Zr133  1  0.531099  0.428050  0.342248  1
  Zr  Zr134  1  0.483393  0.582359  0.367797  1
  Zr  Zr135  1  0.435242  0.737007  0.393578  1
  Zr  Zr136  1  0.864456  0.094657  0.342119  1
  Zr  Zr137  1  0.816757  0.249040  0.367758  1
  Zr  Zr138  1  0.768616  0.403677  0.393617  1
  Zr  Zr139  1  0.150005  0.915731  0.367752  1
  Zr  Zr140  1  0.101956  0.070331  0.393542  1
  Zr  Zr141  1  0.531143  0.927960  0.342070  1
  Zr  Zr142  1  0.483208  0.082507  0.367673  1
  Zr  Zr143  1  0.435092  0.237156  0.393454  1
  Zr  Zr144  1  0.768538  0.903694  0.393559  1
  Zr  Zr145  1  0.863296  0.718976  0.431991  1
  Zr  Zr146  1  0.529903  0.552333  0.432123  1
  Zr  Zr147  1  0.481852  0.706862  0.457723  1
  Zr  Zr148  1  0.863275  0.219003  0.432090  1
  Zr  Zr149  1  0.815196  0.373494  0.457742  1
  Zr  Zr150  1  0.767189  0.528195  0.483465  1
  Zr  Zr151  1  0.196570  0.385725  0.431932  1
  Zr  Zr152  1  0.148439  0.540244  0.457606  1
  Zr  Zr153  1  0.100457  0.694887  0.483321  1
  Zr  Zr154  1  0.529825  0.052433  0.432013  1
  Zr  Zr155  1  0.481771  0.206904  0.457636  1
  Zr  Zr156  1  0.433797  0.361554  0.483351  1
  Zr  Zr157  1  0.815184  0.873518  0.457658  1
  Zr  Zr158  1  0.767157  0.028235  0.483449  1
  Zr  Zr159  1  0.196534  0.885686  0.432062  1
  Zr  Zr160  1  0.148502  0.040182  0.457684  1
  Zr  Zr161  1  0.100494  0.194872  0.483387  1
  Zr  Zr162  1  0.433840  0.861531  0.483375  1
  Zr  Zr163  1  0.005851  0.629673  0.444811  1
  Zr  Zr164  1  0.672613  0.462929  0.444982  1
  Zr  Zr165  1  0.624558  0.617555  0.470621  1
  Zr  Zr166  1  0.005953  0.129626  0.444923  1
  Zr  Zr167  1  0.957879  0.284214  0.470563  1
  Zr  Zr168  1  0.909741  0.438786  0.496218  1
  Zr  Zr169  1  0.339181  0.296359  0.444794  1
  Zr  Zr170  1  0.291181  0.450905  0.470482  1
  Zr  Zr171  1  0.243041  0.605478  0.496170  1
  Zr  Zr172  1  0.672567  0.963001  0.444901  1
  Zr  Zr173  1  0.624519  0.117585  0.470579  1
  Zr  Zr174  1  0.576409  0.272117  0.496214  1
  Zr  Zr175  1  0.957889  0.784201  0.470484  1
  Zr  Zr176  1  0.909751  0.938801  0.496213  1
  Zr  Zr177  1  0.339248  0.796284  0.444916  1
  Zr  Zr178  1  0.291201  0.950887  0.470529  1
  Zr  Zr179  1  0.243048  0.105468  0.496166  1
  Zr  Zr180  1  0.576420  0.772134  0.496214  1
  Zr  Zr181  1  0.815256  0.623605  0.457771  1
  Zr  Zr182  1  0.481934  0.456886  0.457707  1
  Zr  Zr183  1  0.433781  0.611509  0.483423  1
  Zr  Zr184  1  0.815319  0.123593  0.457755  1
  Zr  Zr185  1  0.767139  0.278132  0.483445  1
  Zr  Zr186  1  0.863266  0.468978  0.432036  1
  Zr  Zr187  1  0.148555  0.290312  0.457681  1
  Zr  Zr188  1  0.100391  0.444888  0.483294  1
  Zr  Zr189  1  0.196504  0.635699  0.431917  1
  Zr  Zr190  1  0.481938  0.956953  0.457645  1
  Zr  Zr191  1  0.433693  0.111554  0.483304  1
  Zr  Zr192  1  0.529882  0.302328  0.431950  1
  Zr  Zr193  1  0.767125  0.778169  0.483358  1
  Zr  Zr194  1  0.863218  0.969035  0.432027  1
  Zr  Zr195  1  0.148572  0.790229  0.457659  1
  Zr  Zr196  1  0.100418  0.944838  0.483393  1
  Zr  Zr197  1  0.196562  0.135659  0.431975  1
  Zr  Zr198  1  0.529937  0.802322  0.431983  1
  Zr  Zr199  1  0.054021  0.725041  0.419011  1
  Zr  Zr200  1  0.576504  0.522141  0.496324  1
  Zr  Zr201  1  0.672520  0.712938  0.444878  1
  Zr  Zr202  1  0.909839  0.188799  0.496316  1
  Zr  Zr203  1  0.005827  0.379657  0.444814  1
  Zr  Zr204  1  0.957808  0.534218  0.470488  1
  Zr  Zr205  1  0.387348  0.391722  0.419045  1
  Zr  Zr206  1  0.339161  0.546276  0.444853  1
  Zr  Zr207  1  0.291137  0.700862  0.470501  1
  Zr  Zr208  1  0.720722  0.058493  0.419217  1
  Zr  Zr209  1  0.672545  0.212923  0.444893  1
  Zr  Zr210  1  0.624505  0.367490  0.470545  1
  Zr  Zr211  1  0.005814  0.879602  0.444830  1
  Zr  Zr212  1  0.957832  0.034211  0.470540  1
  Zr  Zr213  1  0.387433  0.891786  0.419152  1
  Zr  Zr214  1  0.339148  0.046308  0.444769  1
  Zr  Zr215  1  0.291114  0.200901  0.470440  1
  Zr  Zr216  1  0.624515  0.867527  0.470462  1
  Zr  Zr217  1  0.719120  0.682809  0.509143  1
  Zr  Zr218  1  0.385794  0.516111  0.509086  1
  Zr  Zr219  1  0.337612  0.670685  0.534780  1
  Zr  Zr220  1  0.719159  0.182753  0.509151  1
  Zr  Zr221  1  0.670980  0.337321  0.534825  1
  Zr  Zr222  1  0.623036  0.491934  0.560527  1
  Zr  Zr223  1  0.052421  0.349459  0.509039  1
  Zr  Zr224  1  0.004223  0.504067  0.534728  1
  Zr  Zr225  1  0.956245  0.658703  0.560447  1
  Zr  Zr226  1  0.385757  0.016119  0.509007  1
  Zr  Zr227  1  0.337564  0.170731  0.534691  1
  Zr  Zr228  1  0.289651  0.325325  0.560359  1
  Zr  Zr229  1  0.670966  0.837347  0.534744  1
  Zr  Zr230  1  0.623035  0.991904  0.560421  1
  Zr  Zr231  1  0.052467  0.849437  0.509066  1
  Zr  Zr232  1  0.004303  0.004019  0.534806  1
  Zr  Zr233  1  0.956331  0.158579  0.560542  1
  Zr  Zr234  1  0.289624  0.825272  0.560492  1
  Zr  Zr235  1  0.861716  0.593448  0.521994  1
  Zr  Zr236  1  0.528415  0.426738  0.521979  1
  Zr  Zr237  1  0.480414  0.581344  0.547668  1
  Zr  Zr238  1  0.861761  0.093401  0.522026  1
  Zr  Zr239  1  0.813747  0.247965  0.547710  1
  Zr  Zr240  1  0.765582  0.402467  0.573370  1
  Zr  Zr241  1  0.195044  0.260094  0.521887  1
  Zr  Zr242  1  0.146967  0.414748  0.547524  1
  Zr  Zr243  1  0.098730  0.569273  0.573202  1
  Zr  Zr244  1  0.528419  0.926720  0.521891  1
  Zr  Zr245  1  0.480307  0.081387  0.547540  1
  Zr  Zr246  1  0.432142  0.235913  0.573196  1
  Zr  Zr247  1  0.813692  0.748056  0.547636  1
  Zr  Zr248  1  0.765535  0.902463  0.573283  1
  Zr  Zr249  1  0.195060  0.760079  0.521944  1
  Zr  Zr250  1  0.147046  0.914663  0.547646  1
  Zr  Zr251  1  0.098889  0.069161  0.573351  1
  Zr  Zr252  1  0.432153  0.735844  0.573333  1
  Zr  Zr253  1  0.671100  0.587429  0.534852  1
  Zr  Zr254  1  0.337677  0.420807  0.534770  1
  Zr  Zr255  1  0.289647  0.575261  0.560406  1
  Zr  Zr256  1  0.671041  0.087424  0.534853  1
  Zr  Zr257  1  0.623026  0.241901  0.560457  1
  Zr  Zr258  1  0.719100  0.432704  0.509136  1
  Zr  Zr259  1  0.004383  0.254043  0.534787  1
  Zr  Zr260  1  0.956302  0.408592  0.560388  1
  Zr  Zr261  1  0.052321  0.599460  0.509001  1
  Zr  Zr262  1  0.337693  0.920718  0.534745  1
  Zr  Zr263  1  0.289598  0.075293  0.560350  1
  Zr  Zr264  1  0.385689  0.266119  0.508986  1
  Zr  Zr265  1  0.622974  0.741962  0.560465  1
  Zr  Zr266  1  0.719084  0.932735  0.509049  1
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  Zr  Zr282  1  0.480289  0.331367  0.547549  1
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  Zr  Zr290  1  0.241505  0.480013  0.586174  1
  Zr  Zr291  1  0.193526  0.634378  0.611584  1
  Zr  Zr292  1  0.574896  0.146631  0.586213  1
  Zr  Zr293  1  0.526936  0.301035  0.611616  1
  Zr  Zr294  1  0.478941  0.456195  0.637722  1
  Zr  Zr295  1  0.908227  0.313210  0.586213  1
  Zr  Zr296  1  0.860285  0.467642  0.611720  1
  Zr  Zr297  1  0.812193  0.622894  0.637788  1
  Zr  Zr298  1  0.241526  0.979900  0.586157  1
  Zr  Zr299  1  0.193542  0.134373  0.611707  1
  Zr  Zr300  1  0.145379  0.289291  0.637538  1
  Zr  Zr301  1  0.526798  0.801013  0.611694  1
  Zr  Zr302  1  0.478744  0.955968  0.637476  1
  Zr  Zr303  1  0.908254  0.813294  0.586150  1
  Zr  Zr304  1  0.860258  0.967569  0.611672  1
  Zr  Zr305  1  0.812317  0.122801  0.637772  1
  Zr  Zr306  1  0.145618  0.789517  0.637703  1
  Zr  Zr307  1  0.717707  0.557264  0.598996  1
  Zr  Zr308  1  0.384258  0.390670  0.598972  1
  Zr  Zr309  1  0.336277  0.545189  0.624759  1
  Zr  Zr310  1  0.717643  0.057237  0.599047  1
  Zr  Zr311  1  0.669681  0.211829  0.624809  1
  Zr  Zr312  1  0.621726  0.366308  0.650447  1
  Zr  Zr313  1  0.050901  0.223876  0.598964  1
  Zr  Zr314  1  0.002688  0.378422  0.624594  1
  Zr  Zr315  1  0.954779  0.533185  0.650428  1
  Zr  Zr316  1  0.384200  0.890553  0.598921  1
  Zr  Zr317  1  0.335960  0.045129  0.624537  1
  Zr  Zr318  1  0.288039  0.199904  0.650438  1
  Zr  Zr319  1  0.669513  0.711901  0.624810  1
  Zr  Zr320  1  0.621639  0.866338  0.650445  1
  Zr  Zr321  1  0.050950  0.723987  0.598894  1
  Zr  Zr322  1  0.002934  0.878503  0.624753  1
  Zr  Zr323  1  0.955060  0.032903  0.650462  1
  Zr  Zr324  1  0.288467  0.699610  0.650393  1
  Zr  Zr325  1  0.527125  0.551156  0.611949  1
  Zr  Zr326  1  0.193702  0.384491  0.611631  1
  Zr  Zr327  1  0.145265  0.539293  0.637462  1
  Zr  Zr328  1  0.527066  0.051130  0.611643  1
  Zr  Zr329  1  0.478705  0.205893  0.637460  1
  Zr  Zr330  1  0.574856  0.396546  0.586299  1
  Zr  Zr331  1  0.860439  0.217811  0.612018  1
  Zr  Zr332  1  0.811968  0.372290  0.637697  1
  Zr  Zr333  1  0.908075  0.563291  0.586268  1
  Zr  Zr334  1  0.193715  0.884508  0.611952  1
  Zr  Zr335  1  0.145260  0.038948  0.637663  1
  Zr  Zr336  1  0.241441  0.229905  0.586169  1
  Zr  Zr337  1  0.478625  0.705637  0.637631  1
  Zr  Zr338  1  0.574853  0.896474  0.586210  1
  Zr  Zr339  1  0.860300  0.717908  0.611928  1
  Zr  Zr340  1  0.812005  0.872206  0.637598  1
  Zr  Zr341  1  0.908190  0.063160  0.586333  1
  Zr  Zr342  1  0.241509  0.729875  0.586267  1
  Zr  Zr343  1  0.765665  0.652723  0.573452  1
  Zr  Zr344  1  0.288122  0.449964  0.650378  1
  Zr  Zr345  1  0.384300  0.640435  0.599008  1
  Zr  Zr346  1  0.621542  0.116585  0.650414  1
  Zr  Zr347  1  0.717645  0.307098  0.599067  1
  Zr  Zr348  1  0.669432  0.461655  0.624704  1
  Zr  Zr349  1  0.098948  0.319286  0.573267  1
  Zr  Zr350  1  0.050787  0.473911  0.598928  1
  Zr  Zr351  1  0.002545  0.628480  0.624613  1
  Zr  Zr352  1  0.432287  0.985936  0.573236  1
  Zr  Zr353  1  0.384101  0.140595  0.598917  1
  Zr  Zr354  1  0.336031  0.295065  0.624560  1
  Zr  Zr355  1  0.717537  0.807136  0.599019  1
  Zr  Zr356  1  0.669479  0.961581  0.624639  1
  Zr  Zr357  1  0.099039  0.819343  0.573385  1
  Zr  Zr358  1  0.050941  0.973763  0.599036  1
  Zr  Zr359  1  0.002741  0.128294  0.624729  1
  Zr  Zr360  1  0.336023  0.795008  0.624704  1
  Zr  Zr361  1  0.431926  0.609715  0.663610  1
  Zr  Zr362  1  0.097800  0.443558  0.662770  1
  Zr  Zr363  1  0.049901  0.598835  0.689375  1
  Zr  Zr364  1  0.431100  0.110257  0.662752  1
  Zr  Zr365  1  0.383515  0.265231  0.689426  1
  Zr  Zr366  1  0.336112  0.419870  0.713929  1
  Zr  Zr367  1  0.765232  0.276419  0.663692  1
  Zr  Zr368  1  0.716795  0.431810  0.689522  1
  Zr  Zr369  1  0.669894  0.586724  0.713319  1
  Zr  Zr370  1  0.098477  0.943022  0.663657  1
  Zr  Zr371  1  0.050118  0.098447  0.689532  1
  Zr  Zr372  1  0.003068  0.253316  0.713485  1
  Zr  Zr373  1  0.383679  0.765205  0.689488  1
  Zr  Zr374  1  0.336341  0.920062  0.713424  1
  Zr  Zr375  1  0.765043  0.776401  0.663642  1
  Zr  Zr376  1  0.717268  0.931579  0.689524  1
  Zr  Zr377  1  0.669507  0.086534  0.713973  1
  Zr  Zr378  1  0.003319  0.753303  0.713271  1
  Zr  Zr379  1  0.574063  0.521085  0.676902  1
  Zr  Zr380  1  0.241292  0.353833  0.676165  1
  Zr  Zr381  1  0.193208  0.509706  0.702011  1
  Zr  Zr382  1  0.574788  0.020502  0.676149  1
  Zr  Zr383  1  0.526630  0.176272  0.702043  1
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  Zr  Zr395  1  0.813097  0.998188  0.724969  1
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  Zr  Zr397  1  0.383823  0.515665  0.689628  1
  Zr  Zr398  1  0.049684  0.348644  0.689522  1
  Zr  Zr399  1  0.002869  0.503030  0.714052  1
  Zr  Zr400  1  0.382907  0.015403  0.689433  1
  Zr  Zr401  1  0.336159  0.169611  0.714065  1
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  Zr  Zr407  1  0.002575  1.003041  0.713494  1
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  Zr  Zr409  1  0.336196  0.669790  0.713437  1
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  Zr  Zr413  1  0.764720  0.026832  0.662780  1
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  Zr  Zr415  1  0.621531  0.616531  0.650315  1
  Zr  Zr416  1  0.146245  0.414601  0.725015  1
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  Zr  Zr421  1  0.954811  0.283240  0.650412  1
  Zr  Zr422  1  0.907788  0.437062  0.676271  1
  Zr  Zr423  1  0.860323  0.593149  0.701993  1
  Zr  Zr424  1  0.288122  0.949928  0.650348  1
  Zr  Zr425  1  0.241014  0.103757  0.676234  1
  Zr  Zr426  1  0.193657  0.259877  0.702105  1
  Zr  Zr427  1  0.574449  0.770368  0.676249  1
  Zr  Zr428  1  0.526787  0.926899  0.702006  1
  Zr  Zr429  1  0.954846  0.783186  0.650267  1
  Zr  Zr430  1  0.907930  0.936877  0.676221  1
  Zr  Zr431  1  0.859611  0.093239  0.702011  1
  Zr  Zr432  1  0.193556  0.760005  0.701872  1
