# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.96906529
_cell_length_b   31.89253526
_cell_length_c   47.69306036
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.68414960
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr396
_cell_volume   20967.4469308
_cell_formula_units_Z   396
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  0.612083  0.906671  0.282620  1
  Zr  Zr2  1  0.278750  0.740004  0.282620  1
  Zr  Zr3  1  0.219257  0.905687  0.294602  1
  Zr  Zr4  1  0.612083  0.406671  0.282620  1
  Zr  Zr5  1  0.552590  0.572353  0.294602  1
  Zr  Zr6  1  0.497484  0.735114  0.306474  1
  Zr  Zr7  1  0.945416  0.573337  0.282620  1
  Zr  Zr8  1  0.885924  0.739020  0.294602  1
  Zr  Zr9  1  0.830817  0.901781  0.306474  1
  Zr  Zr10  1  0.278750  0.240004  0.282620  1
  Zr  Zr11  1  0.219257  0.405687  0.294602  1
  Zr  Zr12  1  0.164150  0.568448  0.306474  1
  Zr  Zr13  1  0.552590  0.072353  0.294602  1
  Zr  Zr14  1  0.497484  0.235114  0.306474  1
  Zr  Zr15  1  0.945416  0.073337  0.282620  1
  Zr  Zr16  1  0.885924  0.239020  0.294602  1
  Zr  Zr17  1  0.830817  0.401781  0.306474  1
  Zr  Zr18  1  0.164150  0.068448  0.306474  1
  Zr  Zr19  1  0.328187  0.816655  0.317286  1
  Zr  Zr20  1  0.994853  0.649988  0.317286  1
  Zr  Zr21  1  0.115352  0.821531  0.292165  1
  Zr  Zr22  1  0.328187  0.316655  0.317286  1
  Zr  Zr23  1  0.448685  0.488197  0.292165  1
  Zr  Zr24  1  0.387075  0.652706  0.304701  1
  Zr  Zr25  1  0.661520  0.483322  0.317286  1
  Zr  Zr26  1  0.782018  0.654864  0.292165  1
  Zr  Zr27  1  0.720408  0.819372  0.304701  1
  Zr  Zr28  1  0.994853  0.149988  0.317286  1
  Zr  Zr29  1  0.115352  0.321531  0.292165  1
  Zr  Zr30  1  0.053741  0.486039  0.304701  1
  Zr  Zr31  1  0.448685  0.988197  0.292165  1
  Zr  Zr32  1  0.387075  0.152706  0.304701  1
  Zr  Zr33  1  0.661520  0.983322  0.317286  1
  Zr  Zr34  1  0.782018  0.154864  0.292165  1
  Zr  Zr35  1  0.720408  0.319372  0.304701  1
  Zr  Zr36  1  0.053741  0.986039  0.304701  1
  Zr  Zr37  1  0.435737  0.899246  0.319805  1
  Zr  Zr38  1  0.102404  0.732579  0.319805  1
  Zr  Zr39  1  0.042185  0.897226  0.333502  1
  Zr  Zr40  1  0.435737  0.399246  0.319805  1
  Zr  Zr41  1  0.375519  0.563893  0.333502  1
  Zr  Zr42  1  0.315550  0.728828  0.346858  1
  Zr  Zr43  1  0.769071  0.565913  0.319805  1
  Zr  Zr44  1  0.708852  0.730560  0.333502  1
  Zr  Zr45  1  0.648883  0.895495  0.346858  1
  Zr  Zr46  1  0.102404  0.232579  0.319805  1
  Zr  Zr47  1  0.042185  0.397226  0.333502  1
  Zr  Zr48  1  0.982217  0.562162  0.346858  1
  Zr  Zr49  1  0.375519  0.063893  0.333502  1
  Zr  Zr50  1  0.315550  0.228828  0.346858  1
  Zr  Zr51  1  0.769071  0.065913  0.319805  1
  Zr  Zr52  1  0.708852  0.230560  0.333502  1
  Zr  Zr53  1  0.648883  0.395495  0.346858  1
  Zr  Zr54  1  0.982217  0.062162  0.346858  1
  Zr  Zr55  1  0.149088  0.809217  0.357495  1
  Zr  Zr56  1  0.815755  0.642550  0.357495  1
  Zr  Zr57  1  0.933907  0.814193  0.331525  1
  Zr  Zr58  1  0.149088  0.309217  0.357495  1
  Zr  Zr59  1  0.267240  0.480859  0.331525  1
  Zr  Zr60  1  0.208102  0.645900  0.344324  1
  Zr  Zr61  1  0.482422  0.475884  0.357495  1
  Zr  Zr62  1  0.600574  0.647526  0.331525  1
  Zr  Zr63  1  0.541436  0.812567  0.344324  1
  Zr  Zr64  1  0.815755  0.142550  0.357495  1
  Zr  Zr65  1  0.933907  0.314193  0.331525  1
  Zr  Zr66  1  0.874769  0.479234  0.344324  1
  Zr  Zr67  1  0.267240  0.980859  0.331525  1
  Zr  Zr68  1  0.208102  0.145900  0.344324  1
  Zr  Zr69  1  0.482422  0.975884  0.357495  1
  Zr  Zr70  1  0.600574  0.147526  0.331525  1
  Zr  Zr71  1  0.541436  0.312567  0.344324  1
  Zr  Zr72  1  0.874769  0.979234  0.344324  1
  Zr  Zr73  1  0.253442  0.891933  0.359720  1
  Zr  Zr74  1  0.920109  0.725266  0.359720  1
  Zr  Zr75  1  0.859843  0.890083  0.373198  1
  Zr  Zr76  1  0.253442  0.391933  0.359720  1
  Zr  Zr77  1  0.193176  0.556750  0.373198  1
  Zr  Zr78  1  0.132279  0.720735  0.386933  1
  Zr  Zr79  1  0.586775  0.558599  0.359720  1
  Zr  Zr80  1  0.526509  0.723416  0.373198  1
  Zr  Zr81  1  0.465612  0.887402  0.386933  1
  Zr  Zr82  1  0.920109  0.225266  0.359720  1
  Zr  Zr83  1  0.859843  0.390083  0.373198  1
  Zr  Zr84  1  0.798946  0.554068  0.386933  1
  Zr  Zr85  1  0.193176  0.056750  0.373198  1
  Zr  Zr86  1  0.132279  0.220735  0.386933  1
  Zr  Zr87  1  0.586775  0.058599  0.359720  1
  Zr  Zr88  1  0.526509  0.223416  0.373198  1
  Zr  Zr89  1  0.465612  0.387402  0.386933  1
  Zr  Zr90  1  0.798946  0.054068  0.386933  1
  Zr  Zr91  1  0.968862  0.801889  0.398140  1
  Zr  Zr92  1  0.635529  0.635223  0.398140  1
  Zr  Zr93  1  0.755738  0.806835  0.371027  1
  Zr  Zr94  1  0.968862  0.301889  0.398140  1
  Zr  Zr95  1  0.089071  0.473501  0.371027  1
  Zr  Zr96  1  0.029594  0.637950  0.384691  1
  Zr  Zr97  1  0.302195  0.468556  0.398140  1
  Zr  Zr98  1  0.422405  0.640168  0.371027  1
  Zr  Zr99  1  0.362928  0.804617  0.384691  1
  Zr  Zr100  1  0.635529  0.135223  0.398140  1
  Zr  Zr101  1  0.755738  0.306835  0.371027  1
  Zr  Zr102  1  0.696261  0.471284  0.384691  1
  Zr  Zr103  1  0.089071  0.973501  0.371027  1
  Zr  Zr104  1  0.029594  0.137950  0.384691  1
  Zr  Zr105  1  0.302195  0.968556  0.398140  1
  Zr  Zr106  1  0.422405  0.140168  0.371027  1
  Zr  Zr107  1  0.362928  0.304617  0.384691  1
  Zr  Zr108  1  0.696261  0.971284  0.384691  1
  Zr  Zr109  1  0.071851  0.884743  0.400357  1
  Zr  Zr110  1  0.738518  0.718076  0.400357  1
  Zr  Zr111  1  0.678135  0.882414  0.413534  1
  Zr  Zr112  1  0.071851  0.384743  0.400357  1
  Zr  Zr113  1  0.011468  0.549081  0.413534  1
  Zr  Zr114  1  0.950663  0.713294  0.426905  1
  Zr  Zr115  1  0.405184  0.551410  0.400357  1
  Zr  Zr116  1  0.344802  0.715747  0.413534  1
  Zr  Zr117  1  0.283996  0.879961  0.426905  1
  Zr  Zr118  1  0.738518  0.218076  0.400357  1
  Zr  Zr119  1  0.678135  0.382414  0.413534  1
  Zr  Zr120  1  0.617330  0.546628  0.426905  1
  Zr  Zr121  1  0.011468  0.049081  0.413534  1
  Zr  Zr122  1  0.950663  0.213294  0.426905  1
  Zr  Zr123  1  0.405184  0.051410  0.400357  1
  Zr  Zr124  1  0.344802  0.215747  0.413534  1
  Zr  Zr125  1  0.283996  0.379961  0.426905  1
  Zr  Zr126  1  0.617330  0.046628  0.426905  1
  Zr  Zr127  1  0.787786  0.794524  0.438111  1
  Zr  Zr128  1  0.454452  0.627858  0.438111  1
  Zr  Zr129  1  0.575543  0.799463  0.411448  1
  Zr  Zr130  1  0.787786  0.294524  0.438111  1
  Zr  Zr131  1  0.908876  0.466130  0.411448  1
  Zr  Zr132  1  0.848440  0.630313  0.424651  1
  Zr  Zr133  1  0.121119  0.461191  0.438111  1
  Zr  Zr134  1  0.242210  0.632797  0.411448  1
  Zr  Zr135  1  0.181774  0.796980  0.424651  1
  Zr  Zr136  1  0.454452  0.127858  0.438111  1
  Zr  Zr137  1  0.575543  0.299463  0.411448  1
  Zr  Zr138  1  0.515107  0.463646  0.424651  1
  Zr  Zr139  1  0.908876  0.966130  0.411448  1
  Zr  Zr140  1  0.848440  0.130313  0.424651  1
  Zr  Zr141  1  0.121119  0.961191  0.438111  1
  Zr  Zr142  1  0.242210  0.132797  0.411448  1
  Zr  Zr143  1  0.181774  0.296980  0.424651  1
  Zr  Zr144  1  0.515107  0.963646  0.424651  1
  Zr  Zr145  1  0.890167  0.877485  0.440247  1
  Zr  Zr146  1  0.556833  0.710818  0.440247  1
  Zr  Zr147  1  0.496419  0.875004  0.453625  1
  Zr  Zr148  1  0.890167  0.377485  0.440247  1
  Zr  Zr149  1  0.829752  0.541670  0.453625  1
  Zr  Zr150  1  0.769246  0.705808  0.467009  1
  Zr  Zr151  1  0.223500  0.544152  0.440247  1
  Zr  Zr152  1  0.163085  0.708337  0.453625  1
  Zr  Zr153  1  0.102579  0.872475  0.467009  1
  Zr  Zr154  1  0.556833  0.210818  0.440247  1
  Zr  Zr155  1  0.496419  0.375004  0.453625  1
  Zr  Zr156  1  0.435912  0.539141  0.467009  1
  Zr  Zr157  1  0.829752  0.041670  0.453625  1
  Zr  Zr158  1  0.769246  0.205808  0.467009  1
  Zr  Zr159  1  0.223500  0.044152  0.440247  1
  Zr  Zr160  1  0.163085  0.208337  0.453625  1
  Zr  Zr161  1  0.102579  0.372475  0.467009  1
  Zr  Zr162  1  0.435912  0.039141  0.467009  1
  Zr  Zr163  1  0.606577  0.787079  0.478228  1
  Zr  Zr164  1  0.273244  0.620413  0.478228  1
  Zr  Zr165  1  0.394132  0.792084  0.451498  1
  Zr  Zr166  1  0.606577  0.287079  0.478228  1
  Zr  Zr167  1  0.727465  0.458750  0.451498  1
  Zr  Zr168  1  0.667053  0.622918  0.464829  1
  Zr  Zr169  1  0.939911  0.453746  0.478228  1
  Zr  Zr170  1  0.060798  0.625417  0.451498  1
  Zr  Zr171  1  1.000386  0.789585  0.464829  1
  Zr  Zr172  1  0.273244  0.120413  0.478228  1
  Zr  Zr173  1  0.394132  0.292084  0.451498  1
  Zr  Zr174  1  0.333719  0.456251  0.464829  1
  Zr  Zr175  1  0.727465  0.958750  0.451498  1
  Zr  Zr176  1  0.667053  0.122918  0.464829  1
  Zr  Zr177  1  0.939911  0.953746  0.478228  1
  Zr  Zr178  1  0.060798  0.125417  0.451498  1
  Zr  Zr179  1  1.000386  0.289585  0.464829  1
  Zr  Zr180  1  0.333719  0.956251  0.464829  1
  Zr  Zr181  1  0.708780  0.870035  0.480338  1
  Zr  Zr182  1  0.375446  0.703369  0.480338  1
  Zr  Zr183  1  0.314954  0.867571  0.493723  1
  Zr  Zr184  1  0.708780  0.370035  0.480338  1
  Zr  Zr185  1  0.648287  0.534238  0.493723  1
  Zr  Zr186  1  0.587783  0.698407  0.507087  1
  Zr  Zr187  1  0.042113  0.536702  0.480338  1
  Zr  Zr188  1  0.981621  0.700905  0.493723  1
  Zr  Zr189  1  0.921117  0.865074  0.507087  1
  Zr  Zr190  1  0.375446  0.203369  0.480338  1
  Zr  Zr191  1  0.314954  0.367571  0.493723  1
  Zr  Zr192  1  0.254450  0.531741  0.507087  1
  Zr  Zr193  1  0.648287  0.034238  0.493723  1
  Zr  Zr194  1  0.587783  0.198407  0.507087  1
  Zr  Zr195  1  0.042113  0.036702  0.480338  1
  Zr  Zr196  1  0.981621  0.200905  0.493723  1
  Zr  Zr197  1  0.921117  0.365074  0.507087  1
  Zr  Zr198  1  0.254450  0.031741  0.507087  1
  Zr  Zr199  1  0.425135  0.779668  0.518309  1
  Zr  Zr200  1  0.091802  0.613001  0.518309  1
  Zr  Zr201  1  0.212798  0.784629  0.491560  1
  Zr  Zr202  1  0.425135  0.279668  0.518309  1
  Zr  Zr203  1  0.546131  0.451295  0.491560  1
  Zr  Zr204  1  0.485628  0.615465  0.504925  1
  Zr  Zr205  1  0.758468  0.446334  0.518309  1
  Zr  Zr206  1  0.879465  0.617962  0.491560  1
  Zr  Zr207  1  0.818961  0.782132  0.504925  1
  Zr  Zr208  1  0.091802  0.113001  0.518309  1
  Zr  Zr209  1  0.212798  0.284629  0.491560  1
  Zr  Zr210  1  0.152294  0.448798  0.504925  1
  Zr  Zr211  1  0.546131  0.951295  0.491560  1
  Zr  Zr212  1  0.485628  0.115465  0.504925  1
  Zr  Zr213  1  0.758468  0.946334  0.518309  1
  Zr  Zr214  1  0.879465  0.117962  0.491560  1
  Zr  Zr215  1  0.818961  0.282132  0.504925  1
  Zr  Zr216  1  0.152294  0.948798  0.504925  1
  Zr  Zr217  1  0.527338  0.862624  0.520420  1
  Zr  Zr218  1  0.194004  0.695957  0.520420  1
  Zr  Zr219  1  0.133529  0.860118  0.533818  1
  Zr  Zr220  1  0.527338  0.362624  0.520420  1
  Zr  Zr221  1  0.466862  0.526785  0.533818  1
  Zr  Zr222  1  0.406450  0.690952  0.547150  1
  Zr  Zr223  1  0.860671  0.529290  0.520420  1
  Zr  Zr224  1  0.800195  0.693452  0.533818  1
  Zr  Zr225  1  0.739783  0.857619  0.547150  1
  Zr  Zr226  1  0.194004  0.195957  0.520420  1
  Zr  Zr227  1  0.133529  0.360118  0.533818  1
  Zr  Zr228  1  0.073117  0.524286  0.547150  1
  Zr  Zr229  1  0.466862  0.026785  0.533818  1
  Zr  Zr230  1  0.406450  0.190952  0.547150  1
  Zr  Zr231  1  0.860671  0.029290  0.520420  1
  Zr  Zr232  1  0.800195  0.193452  0.533818  1
  Zr  Zr233  1  0.739783  0.357619  0.547150  1
  Zr  Zr234  1  0.073117  0.024286  0.547150  1
  Zr  Zr235  1  0.243748  0.772218  0.558401  1
  Zr  Zr236  1  0.910415  0.605551  0.558401  1
  Zr  Zr237  1  0.031336  0.777228  0.531639  1
  Zr  Zr238  1  0.243748  0.272218  0.558401  1
  Zr  Zr239  1  0.364669  0.443895  0.531639  1
  Zr  Zr240  1  0.304163  0.608032  0.545023  1
  Zr  Zr241  1  0.577081  0.438885  0.558401  1
  Zr  Zr242  1  0.698003  0.610562  0.531639  1
  Zr  Zr243  1  0.637496  0.774699  0.545023  1
  Zr  Zr244  1  0.910415  0.105551  0.558401  1
  Zr  Zr245  1  0.031336  0.277228  0.531639  1
  Zr  Zr246  1  0.970830  0.441366  0.545023  1
  Zr  Zr247  1  0.364669  0.943895  0.531639  1
  Zr  Zr248  1  0.304163  0.108032  0.545023  1
  Zr  Zr249  1  0.577081  0.938885  0.558401  1
  Zr  Zr250  1  0.698003  0.110562  0.531639  1
  Zr  Zr251  1  0.637496  0.274699  0.545023  1
  Zr  Zr252  1  0.970830  0.941366  0.545023  1
  Zr  Zr253  1  0.346129  0.855179  0.560537  1
  Zr  Zr254  1  0.012796  0.688512  0.560537  1
  Zr  Zr255  1  0.952141  0.852723  0.573996  1
  Zr  Zr256  1  0.346129  0.355179  0.560537  1
  Zr  Zr257  1  0.285475  0.519390  0.573996  1
  Zr  Zr258  1  0.225039  0.683573  0.587199  1
  Zr  Zr259  1  0.679463  0.521845  0.560537  1
  Zr  Zr260  1  0.618808  0.686057  0.573996  1
  Zr  Zr261  1  0.558372  0.850240  0.587199  1
  Zr  Zr262  1  0.012796  0.188512  0.560537  1
  Zr  Zr263  1  0.952141  0.352723  0.573996  1
  Zr  Zr264  1  0.891705  0.516906  0.587199  1
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  Zr  Zr266  1  0.225039  0.183573  0.587199  1
  Zr  Zr267  1  0.679463  0.021845  0.560537  1
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  Zr  Zr275  1  0.183252  0.436408  0.571742  1
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  Zr  Zr279  1  0.455780  0.767289  0.585113  1
  Zr  Zr280  1  0.728731  0.098293  0.598291  1
  Zr  Zr281  1  0.849919  0.269742  0.571742  1
  Zr  Zr282  1  0.789113  0.433956  0.585113  1
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  Zr  Zr284  1  0.122447  0.100622  0.585113  1
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  Zr  Zr286  1  0.516585  0.103075  0.571742  1
  Zr  Zr287  1  0.455780  0.267289  0.585113  1
  Zr  Zr288  1  0.789113  0.933956  0.585113  1
  Zr  Zr289  1  0.165053  0.847814  0.600508  1
  Zr  Zr290  1  0.831719  0.681147  0.600508  1
  Zr  Zr291  1  0.770987  0.845086  0.613957  1
  Zr  Zr292  1  0.165053  0.347814  0.600508  1
  Zr  Zr293  1  0.104321  0.511753  0.613957  1
  Zr  Zr294  1  0.044844  0.676202  0.627620  1
  Zr  Zr295  1  0.498386  0.514480  0.600508  1
  Zr  Zr296  1  0.437654  0.678419  0.613957  1
  Zr  Zr297  1  0.378177  0.842868  0.627620  1
  Zr  Zr298  1  0.831719  0.181147  0.600508  1
  Zr  Zr299  1  0.770987  0.345086  0.613957  1
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  Zr  Zr305  1  0.378177  0.342868  0.627620  1
  Zr  Zr306  1  0.711510  0.009535  0.627620  1
  Zr  Zr307  1  0.880473  0.757770  0.638928  1
  Zr  Zr308  1  0.547139  0.591104  0.638928  1
  Zr  Zr309  1  0.668303  0.762301  0.611715  1
  Zr  Zr310  1  0.880473  0.257770  0.638928  1
  Zr  Zr311  1  1.001636  0.428968  0.611715  1
  Zr  Zr312  1  0.940739  0.592953  0.625450  1
  Zr  Zr313  1  0.213806  0.424437  0.638928  1
  Zr  Zr314  1  0.334969  0.595634  0.611715  1
  Zr  Zr315  1  0.274072  0.759620  0.625450  1
  Zr  Zr316  1  0.547139  0.091104  0.638928  1
  Zr  Zr317  1  0.668303  0.262301  0.611715  1
  Zr  Zr318  1  0.607406  0.426286  0.625450  1
  Zr  Zr319  1  1.001636  0.928968  0.611715  1
  Zr  Zr320  1  0.940739  0.092953  0.625450  1
  Zr  Zr321  1  0.213806  0.924437  0.638928  1
  Zr  Zr322  1  0.334969  0.095634  0.611715  1
  Zr  Zr323  1  0.274072  0.259620  0.625450  1
  Zr  Zr324  1  0.607406  0.926286  0.625450  1
  Zr  Zr325  1  0.984826  0.840486  0.641152  1
  Zr  Zr326  1  0.651493  0.673819  0.641152  1
  Zr  Zr327  1  0.592479  0.837136  0.654324  1
  Zr  Zr328  1  0.984826  0.340486  0.641152  1
  Zr  Zr329  1  0.925813  0.503803  0.654324  1
  Zr  Zr330  1  0.866674  0.668844  0.667122  1
  Zr  Zr331  1  0.318160  0.507153  0.641152  1
  Zr  Zr332  1  0.259146  0.670469  0.654324  1
  Zr  Zr333  1  0.200008  0.835510  0.667122  1
  Zr  Zr334  1  0.651493  0.173819  0.641152  1
  Zr  Zr335  1  0.592479  0.337136  0.654324  1
  Zr  Zr336  1  0.533341  0.502177  0.667122  1
  Zr  Zr337  1  0.925813  0.003803  0.654324  1
  Zr  Zr338  1  0.866674  0.168844  0.667122  1
  Zr  Zr339  1  0.318160  0.007153  0.641152  1
  Zr  Zr340  1  0.259146  0.170469  0.654324  1
  Zr  Zr341  1  0.200008  0.335510  0.667122  1
  Zr  Zr342  1  0.533341  0.002177  0.667122  1
  Zr  Zr343  1  0.698178  0.750457  0.678842  1
  Zr  Zr344  1  0.364844  0.583790  0.678842  1
  Zr  Zr345  1  0.485032  0.754208  0.651789  1
  Zr  Zr346  1  0.698178  0.250457  0.678842  1
  Zr  Zr347  1  0.818365  0.420875  0.651789  1
  Zr  Zr348  1  0.758396  0.585810  0.665145  1
  Zr  Zr349  1  0.031511  0.417124  0.678842  1
  Zr  Zr350  1  0.151698  0.587541  0.651789  1
  Zr  Zr351  1  0.091730  0.752477  0.665145  1
  Zr  Zr352  1  0.364844  0.083790  0.678842  1
  Zr  Zr353  1  0.485032  0.254208  0.651789  1
  Zr  Zr354  1  0.425063  0.419143  0.665145  1
  Zr  Zr355  1  0.818365  0.920875  0.651789  1
  Zr  Zr356  1  0.758396  0.085810  0.665145  1
  Zr  Zr357  1  0.031511  0.917124  0.678842  1
  Zr  Zr358  1  0.151698  0.087541  0.651789  1
  Zr  Zr359  1  0.091730  0.252477  0.665145  1
  Zr  Zr360  1  0.425063  0.919143  0.665145  1
  Zr  Zr361  1  0.805728  0.833048  0.681361  1
  Zr  Zr362  1  0.472395  0.666381  0.681361  1
  Zr  Zr363  1  0.413507  0.830330  0.693946  1
  Zr  Zr364  1  0.805728  0.333048  0.681361  1
  Zr  Zr365  1  0.746840  0.496997  0.693946  1
  Zr  Zr366  1  0.685230  0.661505  0.706483  1
  Zr  Zr367  1  0.139062  0.499715  0.681361  1
  Zr  Zr368  1  0.080174  0.663664  0.693946  1
  Zr  Zr369  1  0.018563  0.828172  0.706483  1
  Zr  Zr370  1  0.472395  0.166381  0.681361  1
  Zr  Zr371  1  0.413507  0.330330  0.693946  1
  Zr  Zr372  1  0.351896  0.494839  0.706483  1
  Zr  Zr373  1  0.746840  0.996997  0.693946  1
  Zr  Zr374  1  0.685230  0.161505  0.706483  1
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  Zr  Zr377  1  0.018563  0.328172  0.706483  1
  Zr  Zr378  1  0.351896  0.994839  0.706483  1
  Zr  Zr379  1  0.521832  0.743032  0.716028  1
  Zr  Zr380  1  0.188499  0.576365  0.716028  1
  Zr  Zr381  1  0.303098  0.747922  0.692174  1
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  Zr  Zr383  1  0.636431  0.414588  0.692174  1
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  Zr  Zr393  1  0.855165  0.909699  0.716028  1
  Zr  Zr394  1  0.969764  0.081255  0.692174  1
  Zr  Zr395  1  0.914658  0.244016  0.704046  1
  Zr  Zr396  1  0.247991  0.910683  0.704046  1
