# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.90241097
_cell_length_b   16.74689383
_cell_length_c   48.68558788
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.71274718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr360
_cell_volume   18012.3507762
_cell_formula_units_Z   360
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  0.414147  0.670899  0.279054  1
  Zr  Zr2  1  0.914147  0.670899  0.279054  1
  Zr  Zr3  1  0.050207  0.662566  0.290557  1
  Zr  Zr4  1  0.247481  0.337566  0.279054  1
  Zr  Zr5  1  0.187677  0.649336  0.304042  1
  Zr  Zr6  1  0.383540  0.329233  0.290557  1
  Zr  Zr7  1  0.550207  0.662566  0.290557  1
  Zr  Zr8  1  0.747481  0.337566  0.279054  1
  Zr  Zr9  1  0.687677  0.649336  0.304042  1
  Zr  Zr10  1  0.883540  0.329233  0.290557  1
  Zr  Zr11  1  0.080814  0.004233  0.279054  1
  Zr  Zr12  1  0.021010  0.316003  0.304042  1
  Zr  Zr13  1  0.216874  0.995899  0.290557  1
  Zr  Zr14  1  0.354343  0.982670  0.304042  1
  Zr  Zr15  1  0.580814  0.004233  0.279054  1
  Zr  Zr16  1  0.521010  0.316003  0.304042  1
  Zr  Zr17  1  0.716874  0.995899  0.290557  1
  Zr  Zr18  1  0.854343  0.982670  0.304042  1
  Zr  Zr19  1  0.278512  0.473696  0.314337  1
  Zr  Zr20  1  0.778512  0.473696  0.314337  1
  Zr  Zr21  1  0.004791  0.500493  0.286896  1
  Zr  Zr22  1  0.111846  0.140363  0.314337  1
  Zr  Zr23  1  0.141157  0.485815  0.299368  1
  Zr  Zr24  1  0.338124  0.167160  0.286896  1
  Zr  Zr25  1  0.504791  0.500493  0.286896  1
  Zr  Zr26  1  0.611846  0.140363  0.314337  1
  Zr  Zr27  1  0.641157  0.485815  0.299368  1
  Zr  Zr28  1  0.838124  0.167160  0.286896  1
  Zr  Zr29  1  0.945179  0.807029  0.314337  1
  Zr  Zr30  1  0.974490  0.152482  0.299368  1
  Zr  Zr31  1  0.171457  0.833826  0.286896  1
  Zr  Zr32  1  0.307823  0.819149  0.299368  1
  Zr  Zr33  1  0.445179  0.807029  0.314337  1
  Zr  Zr34  1  0.474490  0.152482  0.299368  1
  Zr  Zr35  1  0.671457  0.833826  0.286896  1
  Zr  Zr36  1  0.807823  0.819149  0.299368  1
  Zr  Zr37  1  0.323992  0.635160  0.319320  1
  Zr  Zr38  1  0.823992  0.635160  0.319320  1
  Zr  Zr39  1  0.963155  0.622161  0.336388  1
  Zr  Zr40  1  0.157325  0.301826  0.319320  1
  Zr  Zr41  1  0.100181  0.608858  0.349839  1
  Zr  Zr42  1  0.296488  0.288827  0.336388  1
  Zr  Zr43  1  0.463155  0.622161  0.336388  1
  Zr  Zr44  1  0.657325  0.301826  0.319320  1
  Zr  Zr45  1  0.600181  0.608858  0.349839  1
  Zr  Zr46  1  0.796488  0.288827  0.336388  1
  Zr  Zr47  1  0.990659  0.968493  0.319320  1
  Zr  Zr48  1  0.933514  0.275525  0.349839  1
  Zr  Zr49  1  0.129822  0.955494  0.336388  1
  Zr  Zr50  1  0.266847  0.942191  0.349839  1
  Zr  Zr51  1  0.490659  0.968493  0.319320  1
  Zr  Zr52  1  0.433514  0.275525  0.349839  1
  Zr  Zr53  1  0.629822  0.955494  0.336388  1
  Zr  Zr54  1  0.766847  0.942191  0.349839  1
  Zr  Zr55  1  0.190362  0.432921  0.360017  1
  Zr  Zr56  1  0.690362  0.432921  0.360017  1
  Zr  Zr57  1  0.915203  0.461197  0.329622  1
  Zr  Zr58  1  0.023695  0.099588  0.360017  1
  Zr  Zr59  1  0.053274  0.446151  0.345733  1
  Zr  Zr60  1  0.248536  0.127863  0.329622  1
  Zr  Zr61  1  0.415203  0.461197  0.329622  1
  Zr  Zr62  1  0.523695  0.099588  0.360017  1
  Zr  Zr63  1  0.553274  0.446151  0.345733  1
  Zr  Zr64  1  0.748536  0.127863  0.329622  1
  Zr  Zr65  1  0.857028  0.766255  0.360017  1
  Zr  Zr66  1  0.886607  0.112818  0.345733  1
  Zr  Zr67  1  0.081869  0.794530  0.329622  1
  Zr  Zr68  1  0.219941  0.779485  0.345733  1
  Zr  Zr69  1  0.357028  0.766255  0.360017  1
  Zr  Zr70  1  0.386607  0.112818  0.345733  1
  Zr  Zr71  1  0.581869  0.794530  0.329622  1
  Zr  Zr72  1  0.719941  0.779485  0.345733  1
  Zr  Zr73  1  0.236749  0.595306  0.365111  1
  Zr  Zr74  1  0.736749  0.595306  0.365111  1
  Zr  Zr75  1  0.873847  0.582326  0.380589  1
  Zr  Zr76  1  0.070083  0.261973  0.365111  1
  Zr  Zr77  1  0.011818  0.568681  0.396272  1
  Zr  Zr78  1  0.207180  0.248993  0.380589  1
  Zr  Zr79  1  0.373847  0.582326  0.380589  1
  Zr  Zr80  1  0.570083  0.261973  0.365111  1
  Zr  Zr81  1  0.511818  0.568681  0.396272  1
  Zr  Zr82  1  0.707180  0.248993  0.380589  1
  Zr  Zr83  1  0.903416  0.928639  0.365111  1
  Zr  Zr84  1  0.845152  0.235348  0.396272  1
  Zr  Zr85  1  0.040513  0.915659  0.380589  1
  Zr  Zr86  1  0.178485  0.902015  0.396272  1
  Zr  Zr87  1  0.403416  0.928639  0.365111  1
  Zr  Zr88  1  0.345152  0.235348  0.396272  1
  Zr  Zr89  1  0.540513  0.915659  0.380589  1
  Zr  Zr90  1  0.678485  0.902015  0.396272  1
  Zr  Zr91  1  0.102184  0.392597  0.406502  1
  Zr  Zr92  1  0.602184  0.392597  0.406502  1
  Zr  Zr93  1  0.827818  0.420153  0.375711  1
  Zr  Zr94  1  0.935517  0.059264  0.406502  1
  Zr  Zr95  1  0.964689  0.406399  0.390988  1
  Zr  Zr96  1  0.161151  0.086819  0.375711  1
  Zr  Zr97  1  0.327818  0.420153  0.375711  1
  Zr  Zr98  1  0.435517  0.059264  0.406502  1
  Zr  Zr99  1  0.464689  0.406399  0.390988  1
  Zr  Zr100  1  0.661151  0.086819  0.375711  1
  Zr  Zr101  1  0.768851  0.725931  0.406502  1
  Zr  Zr102  1  0.798022  0.073066  0.390988  1
  Zr  Zr103  1  0.994484  0.753486  0.375711  1
  Zr  Zr104  1  0.131356  0.739733  0.390988  1
  Zr  Zr105  1  0.268851  0.725931  0.406502  1
  Zr  Zr106  1  0.298022  0.073066  0.390988  1
  Zr  Zr107  1  0.494484  0.753486  0.375711  1
  Zr  Zr108  1  0.631356  0.739733  0.390988  1
  Zr  Zr109  1  0.148843  0.555224  0.411048  1
  Zr  Zr110  1  0.648843  0.555224  0.411048  1
  Zr  Zr111  1  0.785893  0.541880  0.426513  1
  Zr  Zr112  1  0.982177  0.221890  0.411048  1
  Zr  Zr113  1  0.923112  0.528508  0.441825  1
  Zr  Zr114  1  0.119226  0.208547  0.426513  1
  Zr  Zr115  1  0.285893  0.541880  0.426513  1
  Zr  Zr116  1  0.482177  0.221890  0.411048  1
  Zr  Zr117  1  0.423112  0.528508  0.441825  1
  Zr  Zr118  1  0.619226  0.208547  0.426513  1
  Zr  Zr119  1  0.815510  0.888557  0.411048  1
  Zr  Zr120  1  0.756445  0.195174  0.441825  1
  Zr  Zr121  1  0.952560  0.875213  0.426513  1
  Zr  Zr122  1  0.089778  0.861841  0.441825  1
  Zr  Zr123  1  0.315510  0.888557  0.411048  1
  Zr  Zr124  1  0.256445  0.195174  0.441825  1
  Zr  Zr125  1  0.452560  0.875213  0.426513  1
  Zr  Zr126  1  0.589778  0.861841  0.441825  1
  Zr  Zr127  1  0.013716  0.352467  0.452415  1
  Zr  Zr128  1  0.513716  0.352467  0.452415  1
  Zr  Zr129  1  0.739332  0.379450  0.421622  1
  Zr  Zr130  1  0.847050  0.019134  0.452415  1
  Zr  Zr131  1  0.876620  0.366009  0.437154  1
  Zr  Zr132  1  0.072665  0.046117  0.421622  1
  Zr  Zr133  1  0.239332  0.379450  0.421622  1
  Zr  Zr134  1  0.347050  0.019134  0.452415  1
  Zr  Zr135  1  0.376620  0.366009  0.437154  1
  Zr  Zr136  1  0.572665  0.046117  0.421622  1
  Zr  Zr137  1  0.680383  0.685800  0.452415  1
  Zr  Zr138  1  0.709953  0.032675  0.437154  1
  Zr  Zr139  1  0.905998  0.712783  0.421622  1
  Zr  Zr140  1  0.043287  0.699342  0.437154  1
  Zr  Zr141  1  0.180383  0.685800  0.452415  1
  Zr  Zr142  1  0.209953  0.032675  0.437154  1
  Zr  Zr143  1  0.405998  0.712783  0.421622  1
  Zr  Zr144  1  0.543287  0.699342  0.437154  1
  Zr  Zr145  1  0.060501  0.514936  0.457244  1
  Zr  Zr146  1  0.560501  0.514936  0.457244  1
  Zr  Zr147  1  0.697576  0.501537  0.472442  1
  Zr  Zr148  1  0.893835  0.181602  0.457244  1
  Zr  Zr149  1  0.834762  0.488113  0.487845  1
  Zr  Zr150  1  0.030909  0.168203  0.472442  1
  Zr  Zr151  1  0.197576  0.501537  0.472442  1
  Zr  Zr152  1  0.393835  0.181602  0.457244  1
  Zr  Zr153  1  0.334762  0.488113  0.487845  1
  Zr  Zr154  1  0.530909  0.168203  0.472442  1
  Zr  Zr155  1  0.727168  0.848269  0.457244  1
  Zr  Zr156  1  0.668096  0.154780  0.487845  1
  Zr  Zr157  1  0.864242  0.834870  0.472442  1
  Zr  Zr158  1  1.001429  0.821446  0.487845  1
  Zr  Zr159  1  0.227168  0.848269  0.457244  1
  Zr  Zr160  1  0.168096  0.154780  0.487845  1
  Zr  Zr161  1  0.364242  0.834870  0.472442  1
  Zr  Zr162  1  0.501429  0.821446  0.487845  1
  Zr  Zr163  1  0.925381  0.312065  0.498490  1
  Zr  Zr164  1  0.425381  0.312065  0.498490  1
  Zr  Zr165  1  0.651001  0.338972  0.467807  1
  Zr  Zr166  1  0.758715  0.978731  0.498490  1
  Zr  Zr167  1  0.788123  0.325580  0.483074  1
  Zr  Zr168  1  0.984334  0.005639  0.467807  1
  Zr  Zr169  1  0.151001  0.338972  0.467807  1
  Zr  Zr170  1  0.258715  0.978731  0.498490  1
  Zr  Zr171  1  0.288123  0.325580  0.483074  1
  Zr  Zr172  1  0.484334  0.005639  0.467807  1
  Zr  Zr173  1  0.592048  0.645398  0.498490  1
  Zr  Zr174  1  0.621456  0.992247  0.483074  1
  Zr  Zr175  1  0.817667  0.672305  0.467807  1
  Zr  Zr176  1  0.954789  0.658914  0.483074  1
  Zr  Zr177  1  0.092048  0.645398  0.498490  1
  Zr  Zr178  1  0.121456  0.992247  0.483074  1
  Zr  Zr179  1  0.317667  0.672305  0.467807  1
  Zr  Zr180  1  0.454789  0.658914  0.483074  1
  Zr  Zr181  1  0.971935  0.474656  0.503123  1
  Zr  Zr182  1  0.471935  0.474656  0.503123  1
  Zr  Zr183  1  0.609193  0.461140  0.518539  1
  Zr  Zr184  1  0.805268  0.141323  0.503123  1
  Zr  Zr185  1  0.746315  0.447749  0.533806  1
  Zr  Zr186  1  0.942527  0.127807  0.518539  1
  Zr  Zr187  1  0.109193  0.461140  0.518539  1
  Zr  Zr188  1  0.305268  0.141323  0.503123  1
  Zr  Zr189  1  0.246315  0.447749  0.533806  1
  Zr  Zr190  1  0.442527  0.127807  0.518539  1
  Zr  Zr191  1  0.638601  0.807989  0.503123  1
  Zr  Zr192  1  0.579649  0.114415  0.533806  1
  Zr  Zr193  1  0.775860  0.794474  0.518539  1
  Zr  Zr194  1  0.912982  0.781082  0.533806  1
  Zr  Zr195  1  0.138601  0.807989  0.503123  1
  Zr  Zr196  1  0.079649  0.114415  0.533806  1
  Zr  Zr197  1  0.275860  0.794474  0.518539  1
  Zr  Zr198  1  0.412982  0.781082  0.533806  1
  Zr  Zr199  1  0.836815  0.271785  0.544370  1
  Zr  Zr200  1  0.336815  0.271785  0.544370  1
  Zr  Zr201  1  0.562554  0.298608  0.513768  1
  Zr  Zr202  1  0.670148  0.938452  0.544370  1
  Zr  Zr203  1  0.699740  0.285184  0.529171  1
  Zr  Zr204  1  0.895887  0.965274  0.513768  1
  Zr  Zr205  1  0.062554  0.298608  0.513768  1
  Zr  Zr206  1  0.170148  0.938452  0.544370  1
  Zr  Zr207  1  0.199740  0.285184  0.529171  1
  Zr  Zr208  1  0.395887  0.965274  0.513768  1
  Zr  Zr209  1  0.503481  0.605118  0.544370  1
  Zr  Zr210  1  0.533074  0.951851  0.529171  1
  Zr  Zr211  1  0.729220  0.631941  0.513768  1
  Zr  Zr212  1  0.866407  0.618517  0.529171  1
  Zr  Zr213  1  1.003481  0.605118  0.544370  1
  Zr  Zr214  1  0.033074  0.951851  0.529171  1
  Zr  Zr215  1  0.229220  0.631941  0.513768  1
  Zr  Zr216  1  0.366407  0.618517  0.529171  1
  Zr  Zr217  1  0.883600  0.434254  0.549198  1
  Zr  Zr218  1  0.383600  0.434254  0.549198  1
  Zr  Zr219  1  0.520696  0.420712  0.564459  1
  Zr  Zr220  1  0.716933  0.100920  0.549198  1
  Zr  Zr221  1  0.657984  0.407271  0.579992  1
  Zr  Zr222  1  0.854029  0.087378  0.564459  1
  Zr  Zr223  1  0.020696  0.420712  0.564459  1
  Zr  Zr224  1  0.216933  0.100920  0.549198  1
  Zr  Zr225  1  0.157984  0.407271  0.579992  1
  Zr  Zr226  1  0.354029  0.087378  0.564459  1
  Zr  Zr227  1  0.550266  0.767587  0.549198  1
  Zr  Zr228  1  0.491318  0.073937  0.579992  1
  Zr  Zr229  1  0.687363  0.754045  0.564459  1
  Zr  Zr230  1  0.824651  0.740604  0.579992  1
  Zr  Zr231  1  0.050266  0.767587  0.549198  1
  Zr  Zr232  1  0.991318  0.073937  0.579992  1
  Zr  Zr233  1  0.187363  0.754045  0.564459  1
  Zr  Zr234  1  0.324651  0.740604  0.579992  1
  Zr  Zr235  1  0.748473  0.231497  0.590565  1
  Zr  Zr236  1  0.248473  0.231497  0.590565  1
  Zr  Zr237  1  0.474205  0.258213  0.559788  1
  Zr  Zr238  1  0.581806  0.898163  0.590565  1
  Zr  Zr239  1  0.611423  0.244841  0.575100  1
  Zr  Zr240  1  0.807538  0.924879  0.559788  1
  Zr  Zr241  1  0.974205  0.258213  0.559788  1
  Zr  Zr242  1  0.081806  0.898163  0.590565  1
  Zr  Zr243  1  0.111423  0.244841  0.575100  1
  Zr  Zr244  1  0.307538  0.924879  0.559788  1
  Zr  Zr245  1  0.415139  0.564830  0.590565  1
  Zr  Zr246  1  0.444756  0.911507  0.575100  1
  Zr  Zr247  1  0.640871  0.591546  0.559788  1
  Zr  Zr248  1  0.778090  0.578174  0.575100  1
  Zr  Zr249  1  0.915139  0.564830  0.590565  1
  Zr  Zr250  1  0.944756  0.911507  0.575100  1
  Zr  Zr251  1  0.140871  0.591546  0.559788  1
  Zr  Zr252  1  0.278090  0.578174  0.575100  1
  Zr  Zr253  1  0.795132  0.394123  0.595111  1
  Zr  Zr254  1  0.295132  0.394123  0.595111  1
  Zr  Zr255  1  0.432627  0.380321  0.610626  1
  Zr  Zr256  1  0.628466  0.060790  0.595111  1
  Zr  Zr257  1  0.569498  0.366568  0.625902  1
  Zr  Zr258  1  0.765960  0.046988  0.610626  1
  Zr  Zr259  1  0.932627  0.380321  0.610626  1
  Zr  Zr260  1  0.128466  0.060790  0.595111  1
  Zr  Zr261  1  0.069498  0.366568  0.625902  1
  Zr  Zr262  1  0.265960  0.046988  0.610626  1
  Zr  Zr263  1  0.461799  0.727456  0.595111  1
  Zr  Zr264  1  0.402832  0.033234  0.625902  1
  Zr  Zr265  1  0.599294  0.713655  0.610626  1
  Zr  Zr266  1  0.736165  0.699901  0.625902  1
  Zr  Zr267  1  0.961799  0.727456  0.595111  1
  Zr  Zr268  1  0.902832  0.033234  0.625902  1
  Zr  Zr269  1  0.099294  0.713655  0.610626  1
  Zr  Zr270  1  0.236165  0.699901  0.625902  1
  Zr  Zr271  1  0.660567  0.191415  0.636502  1
  Zr  Zr272  1  0.160567  0.191415  0.636502  1
  Zr  Zr273  1  0.385498  0.218039  0.605342  1
  Zr  Zr274  1  0.493900  0.858081  0.636502  1
  Zr  Zr275  1  0.523469  0.204395  0.621024  1
  Zr  Zr276  1  0.718831  0.884706  0.605342  1
  Zr  Zr277  1  0.885498  0.218039  0.605342  1
  Zr  Zr278  1  0.993900  0.858081  0.636502  1
  Zr  Zr279  1  0.023469  0.204395  0.621024  1
  Zr  Zr280  1  0.218831  0.884706  0.605342  1
  Zr  Zr281  1  0.327233  0.524748  0.636502  1
  Zr  Zr282  1  0.356803  0.871061  0.621024  1
  Zr  Zr283  1  0.552164  0.551372  0.605342  1
  Zr  Zr284  1  0.690136  0.537728  0.621024  1
  Zr  Zr285  1  0.827233  0.524748  0.636502  1
  Zr  Zr286  1  0.856803  0.871061  0.621024  1
  Zr  Zr287  1  0.052164  0.551372  0.605342  1
  Zr  Zr288  1  0.190136  0.537728  0.621024  1
  Zr  Zr289  1  0.706955  0.353799  0.641596  1
  Zr  Zr290  1  0.206955  0.353799  0.641596  1
  Zr  Zr291  1  0.344042  0.340569  0.655880  1
  Zr  Zr292  1  0.540288  0.020466  0.641596  1
  Zr  Zr293  1  0.482113  0.325524  0.671992  1
  Zr  Zr294  1  0.677375  0.007236  0.655880  1
  Zr  Zr295  1  0.844042  0.340569  0.655880  1
  Zr  Zr296  1  0.040288  0.020466  0.641596  1
  Zr  Zr297  1  0.982113  0.325524  0.671992  1
  Zr  Zr298  1  0.177375  0.007236  0.655880  1
  Zr  Zr299  1  0.373621  0.687133  0.641596  1
  Zr  Zr300  1  0.315447  0.992191  0.671992  1
  Zr  Zr301  1  0.510709  0.673902  0.655880  1
  Zr  Zr302  1  0.648780  0.658857  0.671992  1
  Zr  Zr303  1  0.873621  0.687133  0.641596  1
  Zr  Zr304  1  0.815447  0.992191  0.671992  1
  Zr  Zr305  1  0.010709  0.673902  0.655880  1
  Zr  Zr306  1  0.148780  0.658857  0.671992  1
  Zr  Zr307  1  0.573324  0.151561  0.682293  1
  Zr  Zr308  1  0.073324  0.151561  0.682293  1
  Zr  Zr309  1  0.297136  0.177863  0.651775  1
  Zr  Zr310  1  0.406657  0.818228  0.682293  1
  Zr  Zr311  1  0.434161  0.164560  0.665225  1
  Zr  Zr312  1  0.630469  0.844529  0.651775  1
  Zr  Zr313  1  0.797136  0.177863  0.651775  1
  Zr  Zr314  1  0.906657  0.818228  0.682293  1
  Zr  Zr315  1  0.934161  0.164560  0.665225  1
  Zr  Zr316  1  0.130469  0.844529  0.651775  1
  Zr  Zr317  1  0.239991  0.484894  0.682293  1
  Zr  Zr318  1  0.267494  0.831227  0.665225  1
  Zr  Zr319  1  0.463802  0.511196  0.651775  1
  Zr  Zr320  1  0.600828  0.497893  0.665225  1
  Zr  Zr321  1  0.739991  0.484894  0.682293  1
  Zr  Zr322  1  0.767494  0.831227  0.665225  1
  Zr  Zr323  1  0.963802  0.511196  0.651775  1
  Zr  Zr324  1  0.100828  0.497893  0.665225  1
  Zr  Zr325  1  0.618804  0.313025  0.687277  1
  Zr  Zr326  1  0.118804  0.313025  0.687277  1
  Zr  Zr327  1  0.256160  0.300905  0.702245  1
  Zr  Zr328  1  0.452137  0.979691  0.687277  1
  Zr  Zr329  1  0.392525  0.286227  0.714717  1
  Zr  Zr330  1  0.589493  0.967572  0.702245  1
  Zr  Zr331  1  0.756160  0.300905  0.702245  1
  Zr  Zr332  1  0.952137  0.979691  0.687277  1
  Zr  Zr333  1  0.892525  0.286227  0.714717  1
  Zr  Zr334  1  0.089493  0.967572  0.702245  1
  Zr  Zr335  1  0.285470  0.646358  0.687277  1
  Zr  Zr336  1  0.225859  0.952894  0.714717  1
  Zr  Zr337  1  0.422826  0.634239  0.702245  1
  Zr  Zr338  1  0.559192  0.619561  0.714717  1
  Zr  Zr339  1  0.785470  0.646358  0.687277  1
  Zr  Zr340  1  0.725859  0.952894  0.714717  1
  Zr  Zr341  1  0.922826  0.634239  0.702245  1
  Zr  Zr342  1  0.059192  0.619561  0.714717  1
  Zr  Zr343  1  0.483169  0.115821  0.722560  1
  Zr  Zr344  1  0.983169  0.115821  0.722560  1
  Zr  Zr345  1  0.209639  0.137384  0.697571  1
  Zr  Zr346  1  0.316502  0.782488  0.722560  1
  Zr  Zr347  1  0.347109  0.124154  0.711056  1
  Zr  Zr348  1  0.542973  0.804051  0.697571  1
  Zr  Zr349  1  0.709639  0.137384  0.697571  1
  Zr  Zr350  1  0.816502  0.782488  0.722560  1
  Zr  Zr351  1  0.847109  0.124154  0.711056  1
  Zr  Zr352  1  0.042973  0.804051  0.697571  1
  Zr  Zr353  1  0.149835  0.449155  0.722560  1
  Zr  Zr354  1  0.180442  0.790821  0.711056  1
  Zr  Zr355  1  0.376306  0.470718  0.697571  1
  Zr  Zr356  1  0.513776  0.457488  0.711056  1
  Zr  Zr357  1  0.649835  0.449155  0.722560  1
  Zr  Zr358  1  0.680442  0.790821  0.711056  1
  Zr  Zr359  1  0.876306  0.470718  0.697571  1
  Zr  Zr360  1  0.013776  0.457488  0.711056  1
