# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.95218323
_cell_length_b   22.17722482
_cell_length_c   48.73792036
_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   Zr288
_cell_volume   13782.5878427
_cell_formula_units_Z   288
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  0.991728  0.714472  0.262637  1
  Zr  Zr2  1  0.552236  0.485705  0.326821  1
  Zr  Zr3  1  0.674861  0.683027  0.274207  1
  Zr  Zr4  1  0.026792  0.213212  0.249245  1
  Zr  Zr5  1  0.970669  0.363110  0.262599  1
  Zr  Zr6  1  0.918082  0.516622  0.280694  1
  Zr  Zr7  1  0.365526  0.375263  0.250140  1
  Zr  Zr8  1  0.312904  0.521351  0.264788  1
  Zr  Zr9  1  0.252136  0.667527  0.281088  1
  Zr  Zr10  1  0.701415  0.047828  0.276783  1
  Zr  Zr11  1  0.652699  0.189376  0.292550  1
  Zr  Zr12  1  0.600779  0.337459  0.308087  1
  Zr  Zr13  1  0.973624  0.862109  0.293163  1
  Zr  Zr14  1  0.922982  0.017002  0.307243  1
  Zr  Zr15  1  0.361169  0.884714  0.278897  1
  Zr  Zr16  1  0.317040  0.025600  0.292405  1
  Zr  Zr17  1  0.262052  0.176690  0.306561  1
  Zr  Zr18  1  0.575207  0.850838  0.310361  1
  Zr  Zr19  1  0.187254  0.799482  0.265695  1
  Zr  Zr20  1  0.713222  0.570092  0.311407  1
  Zr  Zr21  1  0.782089  0.794900  0.282369  1
  Zr  Zr22  1  0.200379  0.290208  0.262774  1
  Zr  Zr23  1  0.149540  0.436487  0.278958  1
  Zr  Zr24  1  0.096389  0.584934  0.295666  1
  Zr  Zr25  1  0.540649  0.451057  0.265889  1
  Zr  Zr26  1  0.493308  0.598253  0.281533  1
  Zr  Zr27  1  0.429188  0.746081  0.296244  1
  Zr  Zr28  1  0.867224  0.128830  0.262396  1
  Zr  Zr29  1  0.811443  0.277039  0.276814  1
  Zr  Zr30  1  0.763599  0.424888  0.293802  1
  Zr  Zr31  1  0.130037  0.949544  0.278903  1
  Zr  Zr32  1  0.087121  0.102189  0.291512  1
  Zr  Zr33  1  0.549848  0.956602  0.268284  1
  Zr  Zr34  1  0.470900  0.112324  0.277104  1
  Zr  Zr35  1  0.422693  0.264942  0.291152  1
  Zr  Zr36  1  0.752835  0.933427  0.318119  1
  Zr  Zr37  1  0.879004  0.667288  0.318694  1
  Zr  Zr38  1  0.392892  0.452571  0.371188  1
  Zr  Zr39  1  0.506643  0.636592  0.342755  1
  Zr  Zr40  1  0.877048  0.167349  0.322420  1
  Zr  Zr41  1  0.826430  0.315996  0.338800  1
  Zr  Zr42  1  0.778775  0.462663  0.356287  1
  Zr  Zr43  1  0.217154  0.325850  0.323866  1
  Zr  Zr44  1  0.169611  0.474838  0.341198  1
  Zr  Zr45  1  0.108937  0.625734  0.357428  1
  Zr  Zr46  1  0.534833  0.008470  0.324563  1
  Zr  Zr47  1  0.486686  0.157709  0.337222  1
  Zr  Zr48  1  0.440280  0.305230  0.353682  1
  Zr  Zr49  1  0.832710  0.807217  0.342351  1
  Zr  Zr50  1  0.777003  0.979122  0.382021  1
  Zr  Zr51  1  0.211909  0.840200  0.324591  1
  Zr  Zr52  1  0.150174  0.992307  0.338373  1
  Zr  Zr53  1  0.100529  0.144170  0.353150  1
  Zr  Zr54  1  0.441581  0.791633  0.358438  1
  Zr  Zr55  1  0.063252  0.736322  0.316629  1
  Zr  Zr56  1  0.573454  0.528027  0.387694  1
  Zr  Zr57  1  0.655162  0.723496  0.332042  1
  Zr  Zr58  1  0.034227  0.254288  0.307830  1
  Zr  Zr59  1  0.987747  0.401409  0.323142  1
  Zr  Zr60  1  0.942894  0.541799  0.342872  1
  Zr  Zr61  1  0.372283  0.414271  0.309412  1
  Zr  Zr62  1  0.324684  0.562040  0.325450  1
  Zr  Zr63  1  0.281747  0.704981  0.343237  1
  Zr  Zr64  1  0.715951  0.082654  0.337785  1
  Zr  Zr65  1  0.668167  0.230586  0.354254  1
  Zr  Zr66  1  0.620014  0.377628  0.371238  1
  Zr  Zr67  1  0.985089  0.910142  0.353334  1
  Zr  Zr68  1  0.942230  0.060064  0.368993  1
  Zr  Zr69  1  0.378998  0.925316  0.339934  1
  Zr  Zr70  1  0.326365  0.072839  0.353904  1
  Zr  Zr71  1  0.280547  0.218880  0.369409  1
  Zr  Zr72  1  0.609672  0.893349  0.369765  1
  Zr  Zr73  1  0.739471  0.613387  0.371770  1
  Zr  Zr74  1  0.252630  0.405061  0.448134  1
  Zr  Zr75  1  0.341208  0.599521  0.387703  1
  Zr  Zr76  1  0.732289  0.124423  0.399593  1
  Zr  Zr77  1  0.684834  0.270187  0.416413  1
  Zr  Zr78  1  0.637675  0.418086  0.433073  1
  Zr  Zr79  1  0.052406  0.292786  0.369177  1
  Zr  Zr80  1  0.006740  0.436784  0.386212  1
  Zr  Zr81  1  0.962058  0.578438  0.404355  1
  Zr  Zr82  1  0.396750  0.965528  0.400166  1
  Zr  Zr83  1  0.344259  0.112135  0.415573  1
  Zr  Zr84  1  0.298338  0.258155  0.431614  1
  Zr  Zr85  1  0.674334  0.763302  0.390724  1
  Zr  Zr86  1  0.626393  0.934113  0.430861  1
  Zr  Zr87  1  0.073109  0.779726  0.374050  1
  Zr  Zr88  1  0.003978  0.950676  0.415172  1
  Zr  Zr89  1  0.958754  0.100074  0.430538  1
  Zr  Zr90  1  0.295500  0.745922  0.404136  1
  Zr  Zr91  1  0.901770  0.705123  0.385032  1
  Zr  Zr92  1  0.411503  0.492107  0.432698  1
  Zr  Zr93  1  0.523161  0.677903  0.403731  1
  Zr  Zr94  1  0.892770  0.208186  0.384483  1
  Zr  Zr95  1  0.844554  0.354591  0.401242  1
  Zr  Zr96  1  0.796093  0.502431  0.417893  1
  Zr  Zr97  1  0.235147  0.365238  0.386101  1
  Zr  Zr98  1  0.187133  0.513616  0.402936  1
  Zr  Zr99  1  0.129025  0.665581  0.418886  1
  Zr  Zr100  1  0.552694  0.047717  0.384675  1
  Zr  Zr101  1  0.503728  0.197130  0.399402  1
  Zr  Zr102  1  0.457223  0.344406  0.416038  1
  Zr  Zr103  1  0.847780  0.850682  0.402840  1
  Zr  Zr104  1  0.794691  0.020011  0.444313  1
  Zr  Zr105  1  0.223641  0.881210  0.385610  1
  Zr  Zr106  1  0.167686  0.032529  0.399842  1
  Zr  Zr107  1  0.117794  0.183669  0.414878  1
  Zr  Zr108  1  0.460823  0.833096  0.418745  1
  Zr  Zr109  1  0.590080  0.568247  0.449291  1
  Zr  Zr110  1  0.088417  0.370792  0.493342  1
  Zr  Zr111  1  0.205116  0.553408  0.464645  1
  Zr  Zr112  1  0.569896  0.087327  0.445760  1
  Zr  Zr113  1  0.521046  0.236639  0.461515  1
  Zr  Zr114  1  0.474620  0.384470  0.477988  1
  Zr  Zr115  1  0.910169  0.247572  0.446614  1
  Zr  Zr116  1  0.862218  0.394260  0.463228  1
  Zr  Zr117  1  0.813543  0.542095  0.479674  1
  Zr  Zr118  1  0.241378  0.920750  0.446577  1
  Zr  Zr119  1  0.184741  0.072173  0.461375  1
  Zr  Zr120  1  0.135244  0.223104  0.476885  1
  Zr  Zr121  1  0.539795  0.718462  0.464940  1
  Zr  Zr122  1  0.478284  0.872637  0.479738  1
  Zr  Zr123  1  0.918851  0.746025  0.447429  1
  Zr  Zr124  1  0.864726  0.890760  0.463872  1
  Zr  Zr125  1  0.811899  0.059736  0.505781  1
  Zr  Zr126  1  0.146759  0.705334  0.480370  1
  Zr  Zr127  1  0.754630  0.652307  0.433600  1
  Zr  Zr128  1  0.269903  0.445214  0.510030  1
  Zr  Zr129  1  0.358814  0.639636  0.448998  1
  Zr  Zr130  1  0.749101  0.164508  0.461438  1
  Zr  Zr131  1  0.701933  0.310423  0.478271  1
  Zr  Zr132  1  0.654953  0.458229  0.494942  1
  Zr  Zr133  1  0.070827  0.331183  0.431274  1
  Zr  Zr134  1  0.024399  0.475756  0.448393  1
  Zr  Zr135  1  0.979299  0.618271  0.465376  1
  Zr  Zr136  1  0.413640  1.004602  0.460827  1
  Zr  Zr137  1  0.361632  0.151365  0.477065  1
  Zr  Zr138  1  0.315690  0.298058  0.493428  1
  Zr  Zr139  1  0.691739  0.802654  0.450534  1
  Zr  Zr140  1  0.643141  0.973777  0.492063  1
  Zr  Zr141  1  0.088534  0.818600  0.434051  1
  Zr  Zr142  1  0.021774  0.990372  0.476734  1
  Zr  Zr143  1  0.975914  0.139669  0.492197  1
  Zr  Zr144  1  0.312425  0.785884  0.465024  1
  Zr  Zr145  1  0.428690  0.532106  0.494336  1
  Zr  Zr146  1  0.944918  0.327600  0.570337  1
  Zr  Zr147  1  0.041812  0.515907  0.510091  1
  Zr  Zr148  1  0.430299  0.043446  0.521206  1
  Zr  Zr149  1  0.378757  0.191108  0.538281  1
  Zr  Zr150  1  0.332853  0.338229  0.555084  1
  Zr  Zr151  1  0.766070  0.204669  0.522959  1
  Zr  Zr152  1  0.719192  0.350688  0.540089  1
  Zr  Zr153  1  0.672433  0.498019  0.556965  1
  Zr  Zr154  1  0.105450  0.857844  0.494819  1
  Zr  Zr155  1  0.039293  0.029864  0.538018  1
  Zr  Zr156  1  0.993097  0.179597  0.553724  1
  Zr  Zr157  1  0.376113  0.679467  0.510375  1
  Zr  Zr158  1  0.329337  0.825336  0.526143  1
  Zr  Zr159  1  0.771328  0.692022  0.495083  1
  Zr  Zr160  1  0.708707  0.841893  0.511182  1
  Zr  Zr161  1  0.660193  0.013172  0.553146  1
  Zr  Zr162  1  -0.003604  0.657945  0.526683  1
  Zr  Zr163  1  0.607249  0.608151  0.511045  1
  Zr  Zr164  1  0.105817  0.410984  0.555235  1
  Zr  Zr165  1  0.222566  0.593333  0.526495  1
  Zr  Zr166  1  0.587038  0.126814  0.507270  1
  Zr  Zr167  1  0.538390  0.276594  0.523410  1
  Zr  Zr168  1  0.491804  0.424677  0.539863  1
  Zr  Zr169  1  0.927503  0.287458  0.508527  1
  Zr  Zr170  1  0.879743  0.434345  0.525115  1
  Zr  Zr171  1  0.830889  0.581889  0.541510  1
  Zr  Zr172  1  0.258683  0.960021  0.507715  1
  Zr  Zr173  1  0.201981  0.111715  0.522981  1
  Zr  Zr174  1  0.152680  0.262977  0.538817  1
  Zr  Zr175  1  0.556748  0.758185  0.526430  1
  Zr  Zr176  1  0.495414  0.912110  0.540908  1
  Zr  Zr177  1  0.936078  0.785916  0.509213  1
  Zr  Zr178  1  0.881767  0.930301  0.525051  1
  Zr  Zr179  1  0.829059  0.099362  0.566522  1
  Zr  Zr180  1  0.164074  0.744897  0.541919  1
  Zr  Zr181  1  0.287164  0.485247  0.572066  1
  Zr  Zr182  1  0.802159  0.284395  0.646053  1
  Zr  Zr183  1  0.897480  0.474124  0.587156  1
  Zr  Zr184  1  0.275758  0.999399  0.568900  1
  Zr  Zr185  1  0.219339  0.151663  0.584467  1
  Zr  Zr186  1  0.170195  0.303242  0.600636  1
  Zr  Zr187  1  0.604239  0.166614  0.568690  1
  Zr  Zr188  1  0.555557  0.316738  0.585165  1
  Zr  Zr189  1  0.509061  0.464533  0.601893  1
  Zr  Zr190  1  0.953169  0.825438  0.570688  1
  Zr  Zr191  1  0.899049  0.970136  0.586236  1
  Zr  Zr192  1  0.846630  0.139121  0.626604  1
  Zr  Zr193  1  0.239764  0.632967  0.588589  1
  Zr  Zr194  1  0.181134  0.784690  0.603416  1
  Zr  Zr195  1  0.624441  0.647712  0.572903  1
  Zr  Zr196  1  0.573513  0.798064  0.587893  1
  Zr  Zr197  1  0.512357  0.952092  0.602011  1
  Zr  Zr198  1  0.848183  0.621046  0.603575  1
  Zr  Zr199  1  0.445909  0.571978  0.556129  1
  Zr  Zr200  1  0.962618  0.367034  0.632319  1
  Zr  Zr201  1  0.059042  0.555902  0.571870  1
  Zr  Zr202  1  0.446675  0.082190  0.580700  1
  Zr  Zr203  1  0.395646  0.231092  0.599321  1
  Zr  Zr204  1  0.349709  0.378333  0.616807  1
  Zr  Zr205  1  0.783148  0.244943  0.584358  1
  Zr  Zr206  1  0.736989  0.390398  0.602249  1
  Zr  Zr207  1  0.690147  0.536788  0.619067  1
  Zr  Zr208  1  0.122346  0.897301  0.555959  1
  Zr  Zr209  1  0.056659  0.069690  0.598941  1
  Zr  Zr210  1  0.010882  0.219888  0.615196  1
  Zr  Zr211  1  0.393299  0.718879  0.571981  1
  Zr  Zr212  1  0.346100  0.864842  0.587387  1
  Zr  Zr213  1  0.788192  0.731527  0.556628  1
  Zr  Zr214  1  0.725776  0.881388  0.572275  1
  Zr  Zr215  1  0.677497  0.052885  0.613813  1
  Zr  Zr216  1  0.013236  0.697311  0.588253  1
  Zr  Zr217  1  0.123042  0.451003  0.617240  1
  Zr  Zr218  1  0.640351  0.248675  0.690700  1
  Zr  Zr219  1  0.754098  0.427169  0.665510  1
  Zr  Zr220  1  0.139229  0.937494  0.617274  1
  Zr  Zr221  1  0.072486  0.110151  0.659373  1
  Zr  Zr222  1  0.029463  0.257974  0.677541  1
  Zr  Zr223  1  0.463095  0.120760  0.638688  1
  Zr  Zr224  1  0.409957  0.271706  0.660155  1
  Zr  Zr225  1  0.370117  0.414960  0.679090  1
  Zr  Zr226  1  0.804939  0.771377  0.618154  1
  Zr  Zr227  1  0.742891  0.921672  0.633446  1
  Zr  Zr228  1  0.697363  0.093800  0.673074  1
  Zr  Zr229  1  0.075882  0.594829  0.634021  1
  Zr  Zr230  1  0.030026  0.737089  0.649673  1
  Zr  Zr231  1  0.463559  0.611096  0.618222  1
  Zr  Zr232  1  0.410113  0.758377  0.633646  1
  Zr  Zr233  1  0.362674  0.905570  0.648363  1
  Zr  Zr234  1  0.708552  0.575341  0.680231  1
  Zr  Zr235  1  0.304401  0.524334  0.634419  1
  Zr  Zr236  1  0.818085  0.317144  0.711295  1
  Zr  Zr237  1  0.915804  0.511967  0.649742  1
  Zr  Zr238  1  0.292121  0.039678  0.629953  1
  Zr  Zr239  1  0.236442  0.191984  0.645862  1
  Zr  Zr240  1  0.185507  0.343137  0.662707  1
  Zr  Zr241  1  0.620674  0.206902  0.630033  1
  Zr  Zr242  1  0.573300  0.356422  0.646891  1
  Zr  Zr243  1  0.526236  0.503298  0.664414  1
  Zr  Zr244  1  0.969844  0.865267  0.631748  1
  Zr  Zr245  1  0.918221  0.010238  0.647625  1
  Zr  Zr246  1  0.862109  0.177710  0.686797  1
  Zr  Zr247  1  0.257188  0.672429  0.650668  1
  Zr  Zr248  1  0.196764  0.825771  0.664805  1
  Zr  Zr249  1  0.641055  0.687627  0.634477  1
  Zr  Zr250  1  0.591100  0.838253  0.649228  1
  Zr  Zr251  1  0.528654  0.993076  0.663005  1
  Zr  Zr252  1  0.863946  0.661422  0.665385  1
  Zr  Zr253  1  0.977572  0.404397  0.695360  1
  Zr  Zr254  1  0.469499  0.177599  0.751571  1
  Zr  Zr255  1  0.590682  0.394527  0.710688  1
  Zr  Zr256  1  0.988591  0.906383  0.692138  1
  Zr  Zr257  1  0.930669  0.052896  0.709534  1
  Zr  Zr258  1  0.888105  0.194438  0.746878  1
  Zr  Zr259  1  0.314183  0.083937  0.690805  1
  Zr  Zr260  1  0.260059  0.230651  0.708493  1
  Zr  Zr261  1  0.201487  0.379262  0.723663  1
  Zr  Zr262  1  0.656507  0.728571  0.696103  1
  Zr  Zr263  1  0.607083  0.881278  0.708682  1
  Zr  Zr264  1  0.546295  0.036268  0.722727  1
  Zr  Zr265  1  0.930539  0.551984  0.711548  1
  Zr  Zr266  1  0.876241  0.699721  0.725232  1
  Zr  Zr267  1  0.321940  0.563188  0.696760  1
  Zr  Zr268  1  0.277898  0.713592  0.710808  1
  Zr  Zr269  1  0.212550  0.865175  0.724017  1
  Zr  Zr270  1  0.540650  0.541187  0.725597  1
  Zr  Zr271  1  0.142314  0.490559  0.680245  1
  Zr  Zr272  1  0.650735  0.267857  0.751918  1
  Zr  Zr273  1  0.770910  0.467896  0.726470  1
  Zr  Zr274  1  0.158778  0.980382  0.679400  1
  Zr  Zr275  1  0.095690  0.143933  0.719256  1
  Zr  Zr276  1  0.043797  0.289477  0.738011  1
  Zr  Zr277  1  0.491128  0.161394  0.693988  1
  Zr  Zr278  1  0.433754  0.305802  0.723158  1
  Zr  Zr279  1  0.377922  0.454237  0.738711  1
  Zr  Zr280  1  0.824132  0.813598  0.680231  1
  Zr  Zr281  1  0.758674  0.965269  0.693905  1
  Zr  Zr282  1  0.703026  0.130121  0.733625  1
  Zr  Zr283  1  0.092212  0.635741  0.695858  1
  Zr  Zr284  1  0.048189  0.774949  0.710661  1
  Zr  Zr285  1  0.483724  0.652123  0.680655  1
  Zr  Zr286  1  0.425307  0.802654  0.694506  1
  Zr  Zr287  1  0.378979  0.946203  0.708762  1
  Zr  Zr288  1  0.714480  0.617741  0.738694  1
