# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.23221575
_cell_length_b   28.28316337
_cell_length_c   47.18765407
_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   21327.884095
_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  0.191950  0.763365  0.346363  1
  Zr  Zr2  1  0.858576  0.597378  0.347082  1
  Zr  Zr3  1  0.954247  0.787908  0.294924  1
  Zr  Zr4  1  0.334125  0.300339  0.273858  1
  Zr  Zr5  1  0.287889  0.453577  0.294375  1
  Zr  Zr6  1  0.240294  0.610516  0.321293  1
  Zr  Zr7  1  0.667765  0.465965  0.273986  1
  Zr  Zr8  1  0.621449  0.621589  0.295176  1
  Zr  Zr9  1  0.574217  0.775660  0.319417  1
  Zr  Zr10  1  1.000793  0.132631  0.273829  1
  Zr  Zr11  1  0.955595  0.288726  0.294868  1
  Zr  Zr12  1  0.906941  0.443223  0.318935  1
  Zr  Zr13  1  0.288972  0.956986  0.295340  1
  Zr  Zr14  1  0.239899  0.109118  0.318936  1
  Zr  Zr15  1  0.667170  0.966799  0.273876  1
  Zr  Zr16  1  0.621466  0.120263  0.294214  1
  Zr  Zr17  1  0.571780  0.276844  0.320945  1
  Zr  Zr18  1  0.905285  0.943437  0.320952  1
  Zr  Zr19  1  0.098150  0.697238  0.306309  1
  Zr  Zr20  1  0.765333  0.531707  0.307233  1
  Zr  Zr21  1  0.714314  0.687452  0.333149  1
  Zr  Zr22  1  0.098451  0.198899  0.306748  1
  Zr  Zr23  1  0.047552  0.354526  0.332815  1
  Zr  Zr24  1  0.145813  0.545561  0.284712  1
  Zr  Zr25  1  0.432146  0.365492  0.307001  1
  Zr  Zr26  1  0.382339  0.519596  0.334535  1
  Zr  Zr27  1  0.477599  0.710114  0.285889  1
  Zr  Zr28  1  0.765497  0.032036  0.306893  1
  Zr  Zr29  1  0.715736  0.186477  0.334407  1
  Zr  Zr30  1  0.810551  0.378243  0.284557  1
  Zr  Zr31  1  0.049396  0.853346  0.334753  1
  Zr  Zr32  1  0.143018  0.044860  0.284383  1
  Zr  Zr33  1  0.430929  0.864979  0.306267  1
  Zr  Zr34  1  0.381476  0.021146  0.333265  1
  Zr  Zr35  1  0.477887  0.212413  0.283434  1
  Zr  Zr36  1  0.811076  0.879170  0.283542  1
  Zr  Zr37  1  0.288097  0.705043  0.295138  1
  Zr  Zr38  1  0.955331  0.540502  0.295555  1
  Zr  Zr39  1  0.907991  0.691954  0.319554  1
  Zr  Zr40  1  0.288127  0.204971  0.294699  1
  Zr  Zr41  1  0.239514  0.360567  0.321317  1
  Zr  Zr42  1  0.333525  0.549589  0.273868  1
  Zr  Zr43  1  0.621522  0.369929  0.294129  1
  Zr  Zr44  1  0.572366  0.527271  0.320810  1
  Zr  Zr45  1  0.525393  0.680440  0.346912  1
  Zr  Zr46  1  0.954670  0.036483  0.294086  1
  Zr  Zr47  1  0.905910  0.194138  0.320634  1
  Zr  Zr48  1  0.859086  0.347005  0.346477  1
  Zr  Zr49  1  0.240578  0.859529  0.318828  1
  Zr  Zr50  1  0.192163  0.013829  0.346605  1
  Zr  Zr51  1  0.621260  0.871506  0.294994  1
  Zr  Zr52  1  0.573231  0.027044  0.321409  1
  Zr  Zr53  1  0.666796  0.216602  0.273695  1
  Zr  Zr54  1  1.000886  0.882958  0.273953  1
  Zr  Zr55  1  0.143116  0.794689  0.284779  1
  Zr  Zr56  1  0.810067  0.627409  0.285884  1
  Zr  Zr57  1  0.764631  0.780928  0.306346  1
  Zr  Zr58  1  0.145806  0.295808  0.284383  1
  Zr  Zr59  1  0.097147  0.448380  0.306183  1
  Zr  Zr60  1  0.048596  0.604130  0.333475  1
  Zr  Zr61  1  0.478360  0.462600  0.283353  1
  Zr  Zr62  1  0.431600  0.614836  0.307126  1
  Zr  Zr63  1  0.381122  0.770996  0.332849  1
  Zr  Zr64  1  0.811618  0.129355  0.283292  1
  Zr  Zr65  1  0.765663  0.281580  0.306907  1
  Zr  Zr66  1  0.716172  0.436496  0.334631  1
  Zr  Zr67  1  0.099449  0.948156  0.307060  1
  Zr  Zr68  1  0.049207  0.103322  0.334466  1
  Zr  Zr69  1  0.479081  0.962370  0.284666  1
  Zr  Zr70  1  0.431028  0.114288  0.306033  1
  Zr  Zr71  1  0.382324  0.270081  0.334630  1
  Zr  Zr72  1  0.715517  0.936715  0.334696  1
  Zr  Zr73  1  0.048404  0.727319  0.423767  1
  Zr  Zr74  1  0.715227  0.560870  0.423717  1
  Zr  Zr75  1  0.811562  0.751383  0.371224  1
  Zr  Zr76  1  0.192568  0.264251  0.346125  1
  Zr  Zr77  1  0.143715  0.418937  0.371732  1
  Zr  Zr78  1  0.096220  0.572851  0.397650  1
  Zr  Zr79  1  0.526902  0.430394  0.345850  1
  Zr  Zr80  1  0.477445  0.585388  0.372151  1
  Zr  Zr81  1  0.429379  0.740076  0.397709  1
  Zr  Zr82  1  0.860190  0.097121  0.345736  1
  Zr  Zr83  1  0.811013  0.251992  0.372076  1
  Zr  Zr84  1  0.763149  0.406107  0.398225  1
  Zr  Zr85  1  0.145245  0.918215  0.371653  1
  Zr  Zr86  1  0.096404  0.072916  0.398128  1
  Zr  Zr87  1  0.525576  0.930441  0.346136  1
  Zr  Zr88  1  0.477329  0.085487  0.371854  1
  Zr  Zr89  1  0.429898  0.239136  0.397905  1
  Zr  Zr90  1  0.763276  0.905955  0.398041  1
  Zr  Zr91  1  0.953521  0.662661  0.384951  1
  Zr  Zr92  1  0.620283  0.496099  0.385134  1
  Zr  Zr93  1  0.572450  0.650270  0.410956  1
  Zr  Zr94  1  0.953615  0.162802  0.384988  1
  Zr  Zr95  1  0.906076  0.316738  0.410767  1
  Zr  Zr96  1  0.002096  0.507658  0.358330  1
  Zr  Zr97  1  0.286761  0.329504  0.385379  1
  Zr  Zr98  1  0.239197  0.483427  0.410725  1
  Zr  Zr99  1  0.335904  0.674879  0.358803  1
  Zr  Zr100  1  0.619935  0.996004  0.385389  1
  Zr  Zr101  1  0.572716  0.149882  0.410660  1
  Zr  Zr102  1  0.668951  0.340782  0.358689  1
  Zr  Zr103  1  0.906009  0.816360  0.410462  1
  Zr  Zr104  1  0.002407  0.007427  0.358642  1
  Zr  Zr105  1  0.286619  0.829188  0.384344  1
  Zr  Zr106  1  0.239486  0.983214  0.410609  1
  Zr  Zr107  1  0.335372  0.173790  0.358184  1
  Zr  Zr108  1  0.669127  0.840396  0.358425  1
  Zr  Zr109  1  0.144291  0.668653  0.371966  1
  Zr  Zr110  1  0.811639  0.501725  0.371724  1
  Zr  Zr111  1  0.762589  0.656688  0.397889  1
  Zr  Zr112  1  0.144917  0.168540  0.371383  1
  Zr  Zr113  1  0.096123  0.323355  0.397511  1
  Zr  Zr114  1  0.192598  0.513500  0.345983  1
  Zr  Zr115  1  0.477633  0.335584  0.372218  1
  Zr  Zr116  1  0.430266  0.489387  0.398164  1
  Zr  Zr117  1  0.381630  0.644285  0.423815  1
  Zr  Zr118  1  0.810949  1.002250  0.372141  1
  Zr  Zr119  1  0.763646  0.156007  0.398081  1
  Zr  Zr120  1  0.714945  0.310578  0.423814  1
  Zr  Zr121  1  0.096459  0.822605  0.398141  1
  Zr  Zr122  1  0.048635  0.977182  0.423654  1
  Zr  Zr123  1  0.478056  0.834893  0.371057  1
  Zr  Zr124  1  0.429349  0.989667  0.397523  1
  Zr  Zr125  1  0.525864  0.179793  0.345598  1
  Zr  Zr126  1  0.859116  0.846803  0.345879  1
  Zr  Zr127  1  0.002346  0.757082  0.358376  1
  Zr  Zr128  1  0.668976  0.591315  0.358802  1
  Zr  Zr129  1  0.620180  0.745982  0.384724  1
  Zr  Zr130  1  0.002638  0.258064  0.358573  1
  Zr  Zr131  1  0.953080  0.412760  0.384504  1
  Zr  Zr132  1  0.905948  0.566784  0.410846  1
  Zr  Zr133  1  0.335933  0.424372  0.358972  1
  Zr  Zr134  1  0.286770  0.579274  0.385227  1
  Zr  Zr135  1  0.239245  0.733429  0.410822  1
  Zr  Zr136  1  0.669443  0.091033  0.358875  1
  Zr  Zr137  1  0.619792  0.245668  0.385088  1
  Zr  Zr138  1  0.572816  0.400086  0.410773  1
  Zr  Zr139  1  0.953309  0.912529  0.385175  1
  Zr  Zr140  1  0.906192  0.066714  0.410679  1
  Zr  Zr141  1  0.335661  0.924153  0.358163  1
  Zr  Zr142  1  0.286359  0.079392  0.384622  1
  Zr  Zr143  1  0.239298  0.233387  0.410437  1
  Zr  Zr144  1  0.572630  0.899793  0.410434  1
  Zr  Zr145  1  0.904098  0.690779  0.501662  1
  Zr  Zr146  1  0.570741  0.524131  0.501667  1
  Zr  Zr147  1  0.666755  0.715340  0.449733  1
  Zr  Zr148  1  0.048667  0.227452  0.423478  1
  Zr  Zr149  1  1.000031  0.381977  0.449506  1
  Zr  Zr150  1  0.952033  0.536377  0.475666  1
  Zr  Zr151  1  0.381770  0.394186  0.424062  1
  Zr  Zr152  1  0.333611  0.548489  0.449818  1
  Zr  Zr153  1  0.285323  0.702994  0.475696  1
  Zr  Zr154  1  0.715116  0.060721  0.423989  1
  Zr  Zr155  1  0.666950  0.214976  0.449790  1
  Zr  Zr156  1  0.618846  0.369541  0.475690  1
  Zr  Zr157  1  1.000163  0.881667  0.449758  1
  Zr  Zr158  1  0.952274  0.036159  0.475626  1
  Zr  Zr159  1  0.381861  0.893792  0.423179  1
  Zr  Zr160  1  0.333385  0.048515  0.449486  1
  Zr  Zr161  1  0.285448  0.202909  0.475472  1
  Zr  Zr162  1  0.618914  0.869454  0.475479  1
  Zr  Zr163  1  0.809507  0.625857  0.462698  1
  Zr  Zr164  1  0.476398  0.459038  0.462843  1
  Zr  Zr165  1  0.428001  0.613582  0.488664  1
  Zr  Zr166  1  0.809740  0.125565  0.462798  1
  Zr  Zr167  1  0.761426  0.280014  0.488668  1
  Zr  Zr168  1  0.857499  0.471383  0.436736  1
  Zr  Zr169  1  0.142902  0.292418  0.462379  1
  Zr  Zr170  1  0.094485  0.446976  0.488570  1
  Zr  Zr171  1  0.190754  0.637959  0.436838  1
  Zr  Zr172  1  0.476171  0.958885  0.462356  1
  Zr  Zr173  1  0.427932  0.113488  0.488573  1
  Zr  Zr174  1  0.524156  0.304577  0.436882  1
  Zr  Zr175  1  0.761409  0.780164  0.488624  1
  Zr  Zr176  1  0.857578  0.971312  0.436887  1
  Zr  Zr177  1  0.142884  0.792309  0.462807  1
  Zr  Zr178  1  0.094823  0.946665  0.488555  1
  Zr  Zr179  1  0.190822  0.138077  0.436567  1
  Zr  Zr180  1  0.524265  0.804676  0.436481  1
  Zr  Zr181  1  1.000237  0.631872  0.449734  1
  Zr  Zr182  1  0.666889  0.465280  0.449839  1
  Zr  Zr183  1  0.618795  0.619754  0.475717  1
  Zr  Zr184  1  1.000177  0.131881  0.449722  1
  Zr  Zr185  1  0.952259  0.286223  0.475499  1
  Zr  Zr186  1  0.048062  0.477470  0.423554  1
  Zr  Zr187  1  0.333604  0.298420  0.449751  1
  Zr  Zr188  1  0.285402  0.453037  0.475792  1
  Zr  Zr189  1  0.237293  0.607287  0.501617  1
  Zr  Zr190  1  0.666872  0.965015  0.449800  1
  Zr  Zr191  1  0.618859  0.119509  0.475741  1
  Zr  Zr192  1  0.570753  0.273896  0.501631  1
  Zr  Zr193  1  0.952179  0.786201  0.475662  1
  Zr  Zr194  1  0.904080  0.940544  0.501606  1
  Zr  Zr195  1  0.333389  0.798598  0.449529  1
  Zr  Zr196  1  0.285589  0.952795  0.475374  1
  Zr  Zr197  1  0.381469  0.143991  0.423572  1
  Zr  Zr198  1  0.715358  0.810421  0.423482  1
  Zr  Zr199  1  0.857563  0.721343  0.436697  1
  Zr  Zr200  1  0.524285  0.554787  0.436919  1
  Zr  Zr201  1  0.476001  0.709234  0.462650  1
  Zr  Zr202  1  0.857683  0.221299  0.436848  1
  Zr  Zr203  1  0.809559  0.375621  0.462737  1
  Zr  Zr204  1  0.761366  0.530325  0.488673  1
  Zr  Zr205  1  0.190646  0.388216  0.436788  1
  Zr  Zr206  1  0.142750  0.542336  0.462599  1
  Zr  Zr207  1  0.094738  0.696847  0.488747  1
  Zr  Zr208  1  0.523954  0.054689  0.436814  1
  Zr  Zr209  1  0.476312  0.208822  0.462626  1
  Zr  Zr210  1  0.428057  0.363478  0.488785  1
  Zr  Zr211  1  0.809690  0.875453  0.462616  1
  Zr  Zr212  1  0.761443  0.030056  0.488767  1
  Zr  Zr213  1  0.191054  0.887807  0.436601  1
  Zr  Zr214  1  0.142938  0.042269  0.462616  1
  Zr  Zr215  1  0.094722  0.196843  0.488414  1
  Zr  Zr216  1  0.428061  0.863486  0.488331  1
  Zr  Zr217  1  0.759720  0.654184  0.579532  1
  Zr  Zr218  1  0.426189  0.487361  0.579638  1
  Zr  Zr219  1  0.522372  0.678590  0.527560  1
  Zr  Zr220  1  0.904028  0.190618  0.501604  1
  Zr  Zr221  1  0.855908  0.345046  0.527428  1
  Zr  Zr222  1  0.807775  0.499714  0.553497  1
  Zr  Zr223  1  0.237366  0.357389  0.501538  1
  Zr  Zr224  1  0.189024  0.511881  0.527641  1
  Zr  Zr225  1  0.141323  0.666157  0.553557  1
  Zr  Zr226  1  0.570674  0.023955  0.501592  1
  Zr  Zr227  1  0.522608  0.178413  0.527542  1
  Zr  Zr228  1  0.474532  0.332729  0.553526  1
  Zr  Zr229  1  0.855837  0.845103  0.527582  1
  Zr  Zr230  1  0.807966  0.999319  0.553492  1
  Zr  Zr231  1  0.237367  0.857357  0.501515  1
  Zr  Zr232  1  0.189170  0.011761  0.527383  1
  Zr  Zr233  1  0.141092  0.166196  0.553202  1
  Zr  Zr234  1  0.474413  0.832981  0.553215  1
  Zr  Zr235  1  0.665071  0.589264  0.540569  1
  Zr  Zr236  1  0.331817  0.422392  0.540713  1
  Zr  Zr237  1  0.283689  0.576630  0.566499  1
  Zr  Zr238  1  0.665302  0.088965  0.540652  1
  Zr  Zr239  1  0.617232  0.243350  0.566549  1
  Zr  Zr240  1  0.713340  0.434581  0.514582  1
  Zr  Zr241  1  0.998406  0.255658  0.540225  1
  Zr  Zr242  1  0.950511  0.410076  0.566162  1
  Zr  Zr243  1  0.046645  0.601297  0.514613  1
  Zr  Zr244  1  0.331807  0.922457  0.540228  1
  Zr  Zr245  1  0.283795  0.076750  0.566198  1
  Zr  Zr246  1  0.380079  0.267765  0.514498  1
  Zr  Zr247  1  0.617160  0.743381  0.566347  1
  Zr  Zr248  1  0.713352  0.934399  0.514569  1
  Zr  Zr249  1  0.998644  0.755772  0.540701  1
  Zr  Zr250  1  0.950434  0.909960  0.566519  1
  Zr  Zr251  1  0.046569  0.101187  0.514498  1
  Zr  Zr252  1  0.379760  0.768019  0.514478  1
  Zr  Zr253  1  0.855846  0.595315  0.527642  1
  Zr  Zr254  1  0.522546  0.428465  0.527603  1
  Zr  Zr255  1  0.474557  0.582887  0.553449  1
  Zr  Zr256  1  0.855882  0.095059  0.527645  1
  Zr  Zr257  1  0.807928  0.249356  0.553540  1
  Zr  Zr258  1  0.903915  0.440802  0.501530  1
  Zr  Zr259  1  0.189263  0.261751  0.527314  1
  Zr  Zr260  1  0.141090  0.416305  0.553292  1
  Zr  Zr261  1  0.092751  0.570928  0.579688  1
  Zr  Zr262  1  0.522607  0.928436  0.527396  1
  Zr  Zr263  1  0.474503  0.082909  0.553425  1
  Zr  Zr264  1  0.426404  0.237228  0.579471  1
  Zr  Zr265  1  0.807924  0.749608  0.553542  1
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  Zr  Zr294  1  0.663782  0.462537  0.630990  1
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  Zr  Zr298  1  0.426405  0.987462  0.579289  1
  Zr  Zr299  1  0.378325  0.141826  0.605390  1
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  Zr  Zr305  1  0.996244  0.129697  0.631479  1
  Zr  Zr306  1  0.329404  0.796510  0.631410  1
  Zr  Zr307  1  0.521479  0.552087  0.618200  1
  Zr  Zr308  1  0.187995  0.385289  0.617678  1
  Zr  Zr309  1  0.139093  0.540980  0.644833  1
  Zr  Zr310  1  0.521463  0.052197  0.618183  1
  Zr  Zr311  1  0.472292  0.206980  0.644625  1
  Zr  Zr312  1  0.568720  0.397806  0.592242  1
  Zr  Zr313  1  0.854534  0.218651  0.618629  1
  Zr  Zr314  1  0.805648  0.373290  0.644415  1
  Zr  Zr315  1  0.901862  0.564963  0.592725  1
  Zr  Zr316  1  0.188178  0.885519  0.618654  1
  Zr  Zr317  1  0.138540  0.040012  0.644211  1
  Zr  Zr318  1  0.235494  0.231293  0.592353  1
  Zr  Zr319  1  0.471969  0.707153  0.644294  1
  Zr  Zr320  1  0.568731  0.898151  0.592494  1
  Zr  Zr321  1  0.854878  0.718808  0.618342  1
  Zr  Zr322  1  0.805473  0.873835  0.644655  1
  Zr  Zr323  1  0.902103  0.064542  0.592370  1
  Zr  Zr324  1  0.235199  0.731480  0.592471  1
  Zr  Zr325  1  0.711352  0.558902  0.605261  1
  Zr  Zr326  1  0.378594  0.391480  0.605559  1
  Zr  Zr327  1  0.329780  0.546276  0.631694  1
  Zr  Zr328  1  0.712314  0.058137  0.605379  1
  Zr  Zr329  1  0.663300  0.213213  0.631829  1
  Zr  Zr330  1  0.759740  0.403818  0.579358  1
  Zr  Zr331  1  0.044650  0.225199  0.604767  1
  Zr  Zr332  1  0.997001  0.379254  0.630807  1
  Zr  Zr333  1  0.948852  0.534325  0.657306  1
  Zr  Zr334  1  0.378179  0.892181  0.604829  1
  Zr  Zr335  1  0.330408  0.046168  0.631071  1
  Zr  Zr336  1  0.281916  0.201170  0.657066  1
  Zr  Zr337  1  0.663908  0.712636  0.631326  1
  Zr  Zr338  1  0.615566  0.867676  0.656858  1
  Zr  Zr339  1  0.045612  0.724910  0.605460  1
  Zr  Zr340  1  0.996571  0.879992  0.631909  1
  Zr  Zr341  1  0.092632  0.070629  0.579383  1
  Zr  Zr342  1  0.425847  0.737469  0.579355  1
  Zr  Zr343  1  0.568618  0.648124  0.592570  1
  Zr  Zr344  1  0.235336  0.481434  0.592622  1
  Zr  Zr345  1  0.187997  0.635299  0.618481  1
  Zr  Zr346  1  0.568842  0.148107  0.592388  1
  Zr  Zr347  1  0.521290  0.301886  0.618424  1
  Zr  Zr348  1  0.472260  0.456795  0.644470  1
  Zr  Zr349  1  0.901994  0.314531  0.592193  1
  Zr  Zr350  1  0.854780  0.468685  0.618018  1
  Zr  Zr351  1  0.805572  0.624255  0.644841  1
  Zr  Zr352  1  0.235349  0.981387  0.592205  1
  Zr  Zr353  1  0.187653  0.135421  0.617812  1
  Zr  Zr354  1  0.138931  0.290393  0.644130  1
  Zr  Zr355  1  0.521040  0.802128  0.617704  1
  Zr  Zr356  1  0.472434  0.957712  0.644565  1
  Zr  Zr357  1  0.902104  0.814852  0.592472  1
  Zr  Zr358  1  0.854415  0.968419  0.618328  1
  Zr  Zr359  1  0.805954  0.123747  0.644862  1
  Zr  Zr360  1  0.139138  0.790617  0.644987  1
  Zr  Zr361  1  0.474509  0.582197  0.729219  1
  Zr  Zr362  1  0.140882  0.414254  0.729219  1
  Zr  Zr363  1  0.234648  0.605628  0.684155  1
  Zr  Zr364  1  0.616608  0.117708  0.656111  1
  Zr  Zr365  1  0.566715  0.271567  0.683697  1
  Zr  Zr366  1  0.519225  0.426283  0.708068  1
  Zr  Zr367  1  0.948731  0.284319  0.656523  1
  Zr  Zr368  1  0.902302  0.437283  0.682278  1
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  Zr  Zr371  1  0.234301  0.104248  0.681766  1
  Zr  Zr372  1  0.187208  0.261472  0.708604  1
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  Zr  Zr377  1  0.853434  0.091280  0.707510  1
  Zr  Zr378  1  0.186398  0.757959  0.707679  1
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  Zr  Zr380  1  0.042244  0.349615  0.695933  1
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  Zr  Zr383  1  0.329007  0.169229  0.718293  1
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  Zr  Zr431  1  0.664728  0.087451  0.716981  1
  Zr  Zr432  1  0.997621  0.754311  0.717015  1
