# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.28001921
_cell_length_b   17.16957652
_cell_length_c   17.16957652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr249
_cell_volume   5683.6408866
_cell_formula_units_Z   249
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  0.061920  0.118698  0.328457  1
  Zr  Zr2  1  0.061920  0.118698  0.521037  1
  Zr  Zr3  1  0.061920  0.118698  0.716359  1
  Zr  Zr4  1  0.061920  0.118698  0.908939  1
  Zr  Zr5  1  0.061920  0.328457  0.118698  1
  Zr  Zr6  1  0.061920  0.320283  0.320283  1
  Zr  Zr7  1  0.061920  0.317843  0.518988  1
  Zr  Zr8  1  0.061920  0.317843  0.718408  1
  Zr  Zr9  1  0.061920  0.320283  0.917112  1
  Zr  Zr10  1  0.061920  0.521037  0.118698  1
  Zr  Zr11  1  0.061920  0.518988  0.317843  1
  Zr  Zr12  1  0.061920  0.518343  0.518343  1
  Zr  Zr13  1  0.061920  0.518343  0.719052  1
  Zr  Zr14  1  0.061920  0.518988  0.919553  1
  Zr  Zr15  1  0.061920  0.716359  0.118698  1
  Zr  Zr16  1  0.061920  0.718408  0.317843  1
  Zr  Zr17  1  0.061920  0.719052  0.518343  1
  Zr  Zr18  1  0.061920  0.719052  0.719052  1
  Zr  Zr19  1  0.061920  0.718408  0.919553  1
  Zr  Zr20  1  0.061920  0.908939  0.118698  1
  Zr  Zr21  1  0.061920  0.917112  0.320283  1
  Zr  Zr22  1  0.061920  0.919553  0.518988  1
  Zr  Zr23  1  0.061920  0.919553  0.718408  1
  Zr  Zr24  1  0.061920  0.917112  0.917112  1
  Zr  Zr25  1  0.264715  0.118698  0.118698  1
  Zr  Zr26  1  0.259011  0.118698  0.314623  1
  Zr  Zr27  1  0.261344  0.118698  0.517247  1
  Zr  Zr28  1  0.261344  0.118698  0.720148  1
  Zr  Zr29  1  0.259011  0.118698  0.922773  1
  Zr  Zr30  1  0.259011  0.314623  0.118698  1
  Zr  Zr31  1  0.259557  0.316428  0.316428  1
  Zr  Zr32  1  0.262373  0.319385  0.518245  1
  Zr  Zr33  1  0.262373  0.319385  0.719151  1
  Zr  Zr34  1  0.259557  0.316428  0.920968  1
  Zr  Zr35  1  0.261344  0.517247  0.118698  1
  Zr  Zr36  1  0.262373  0.518245  0.319385  1
  Zr  Zr37  1  0.262830  0.519265  0.519265  1
  Zr  Zr38  1  0.262830  0.519265  0.718130  1
  Zr  Zr39  1  0.262373  0.518245  0.918011  1
  Zr  Zr40  1  0.261344  0.720148  0.118698  1
  Zr  Zr41  1  0.262373  0.719151  0.319385  1
  Zr  Zr42  1  0.262830  0.718130  0.519265  1
  Zr  Zr43  1  0.262830  0.718130  0.718130  1
  Zr  Zr44  1  0.262373  0.719151  0.918011  1
  Zr  Zr45  1  0.259011  0.922773  0.118698  1
  Zr  Zr46  1  0.259557  0.920968  0.316428  1
  Zr  Zr47  1  0.262373  0.918011  0.518245  1
  Zr  Zr48  1  0.262373  0.918011  0.719151  1
  Zr  Zr49  1  0.259557  0.920968  0.920968  1
  Zr  Zr50  1  0.462159  0.118698  0.118698  1
  Zr  Zr51  1  0.462763  0.118698  0.319336  1
  Zr  Zr52  1  0.461295  0.118698  0.518876  1
  Zr  Zr53  1  0.461295  0.118698  0.718519  1
  Zr  Zr54  1  0.462763  0.118698  0.918060  1
  Zr  Zr55  1  0.462763  0.319336  0.118698  1
  Zr  Zr56  1  0.462784  0.319063  0.319063  1
  Zr  Zr57  1  0.461236  0.318211  0.518684  1
  Zr  Zr58  1  0.461236  0.318211  0.718712  1
  Zr  Zr59  1  0.462784  0.319063  0.918333  1
  Zr  Zr60  1  0.461295  0.518876  0.118698  1
  Zr  Zr61  1  0.461236  0.518684  0.318211  1
  Zr  Zr62  1  0.461299  0.518243  0.518243  1
  Zr  Zr63  1  0.461299  0.518243  0.719153  1
  Zr  Zr64  1  0.461236  0.518684  0.919185  1
  Zr  Zr65  1  0.461295  0.718519  0.118698  1
  Zr  Zr66  1  0.461236  0.718712  0.318211  1
  Zr  Zr67  1  0.461299  0.719153  0.518243  1
  Zr  Zr68  1  0.461299  0.719153  0.719153  1
  Zr  Zr69  1  0.461236  0.718712  0.919185  1
  Zr  Zr70  1  0.462763  0.918060  0.118698  1
  Zr  Zr71  1  0.462784  0.918333  0.319063  1
  Zr  Zr72  1  0.461236  0.919185  0.518684  1
  Zr  Zr73  1  0.461236  0.919185  0.718712  1
  Zr  Zr74  1  0.462784  0.918333  0.918333  1
  Zr  Zr75  1  0.661680  0.118698  0.118698  1
  Zr  Zr76  1  0.661076  0.118698  0.319336  1
  Zr  Zr77  1  0.662545  0.118698  0.518876  1
  Zr  Zr78  1  0.662545  0.118698  0.718519  1
  Zr  Zr79  1  0.661076  0.118698  0.918060  1
  Zr  Zr80  1  0.661076  0.319336  0.118698  1
  Zr  Zr81  1  0.661056  0.319063  0.319063  1
  Zr  Zr82  1  0.662603  0.318211  0.518684  1
  Zr  Zr83  1  0.662603  0.318211  0.718712  1
  Zr  Zr84  1  0.661056  0.319063  0.918333  1
  Zr  Zr85  1  0.662545  0.518876  0.118698  1
  Zr  Zr86  1  0.662603  0.518684  0.318211  1
  Zr  Zr87  1  0.662540  0.518243  0.518243  1
  Zr  Zr88  1  0.662540  0.518243  0.719153  1
  Zr  Zr89  1  0.662603  0.518684  0.919185  1
  Zr  Zr90  1  0.662545  0.718519  0.118698  1
  Zr  Zr91  1  0.662603  0.718712  0.318211  1
  Zr  Zr92  1  0.662540  0.719153  0.518243  1
  Zr  Zr93  1  0.662540  0.719153  0.719153  1
  Zr  Zr94  1  0.662603  0.718712  0.919185  1
  Zr  Zr95  1  0.661076  0.918060  0.118698  1
  Zr  Zr96  1  0.661056  0.918333  0.319063  1
  Zr  Zr97  1  0.662603  0.919185  0.518684  1
  Zr  Zr98  1  0.662603  0.919185  0.718712  1
  Zr  Zr99  1  0.661056  0.918333  0.918333  1
  Zr  Zr100  1  0.859124  0.118698  0.118698  1
  Zr  Zr101  1  0.864828  0.118698  0.314623  1
  Zr  Zr102  1  0.862495  0.118698  0.517247  1
  Zr  Zr103  1  0.862495  0.118698  0.720148  1
  Zr  Zr104  1  0.864828  0.118698  0.922773  1
  Zr  Zr105  1  0.864828  0.314623  0.118698  1
  Zr  Zr106  1  0.864283  0.316428  0.316428  1
  Zr  Zr107  1  0.861467  0.319385  0.518245  1
  Zr  Zr108  1  0.861467  0.319385  0.719151  1
  Zr  Zr109  1  0.864283  0.316428  0.920968  1
  Zr  Zr110  1  0.862495  0.517247  0.118698  1
  Zr  Zr111  1  0.861467  0.518245  0.319385  1
  Zr  Zr112  1  0.861010  0.519265  0.519265  1
  Zr  Zr113  1  0.861010  0.519265  0.718130  1
  Zr  Zr114  1  0.861467  0.518245  0.918011  1
  Zr  Zr115  1  0.862495  0.720148  0.118698  1
  Zr  Zr116  1  0.861467  0.719151  0.319385  1
  Zr  Zr117  1  0.861010  0.718130  0.519265  1
  Zr  Zr118  1  0.861010  0.718130  0.718130  1
  Zr  Zr119  1  0.861467  0.719151  0.918011  1
  Zr  Zr120  1  0.864828  0.922773  0.118698  1
  Zr  Zr121  1  0.864283  0.920968  0.316428  1
  Zr  Zr122  1  0.861467  0.918011  0.518245  1
  Zr  Zr123  1  0.861467  0.918011  0.719151  1
  Zr  Zr124  1  0.864283  0.920968  0.920968  1
  Zr  Zr125  1  -0.027369  0.023159  0.023159  1
  Zr  Zr126  1  -0.027369  0.023159  0.214236  1
  Zr  Zr127  1  0.960972  1.017968  0.418432  1
  Zr  Zr128  1  0.959949  1.018261  0.618698  1
  Zr  Zr129  1  0.960972  1.017968  0.818963  1
  Zr  Zr130  1  -0.027369  0.214236  0.023159  1
  Zr  Zr131  1  -0.027369  0.214236  0.214236  1
  Zr  Zr132  1  0.960972  0.219427  0.418432  1
  Zr  Zr133  1  0.959949  0.219134  0.618698  1
  Zr  Zr134  1  0.960972  0.219427  0.818963  1
  Zr  Zr135  1  0.960972  0.418432  1.017968  1
  Zr  Zr136  1  0.960972  0.418432  0.219427  1
  Zr  Zr137  1  0.961140  0.419425  0.419425  1
  Zr  Zr138  1  0.961825  0.418850  0.618698  1
  Zr  Zr139  1  0.961140  0.419425  0.817971  1
  Zr  Zr140  1  0.959949  0.618698  1.018261  1
  Zr  Zr141  1  0.959949  0.618698  0.219134  1
  Zr  Zr142  1  0.961825  0.618698  0.418850  1
  Zr  Zr143  1  -0.037328  0.618698  0.618698  1
  Zr  Zr144  1  0.961825  0.618698  0.818546  1
  Zr  Zr145  1  0.960972  0.818963  1.017968  1
  Zr  Zr146  1  0.960972  0.818963  0.219427  1
  Zr  Zr147  1  0.961140  0.817971  0.419425  1
  Zr  Zr148  1  0.961825  0.818546  0.618698  1
  Zr  Zr149  1  0.961140  0.817971  0.817971  1
  Zr  Zr150  1  0.151209  0.023159  0.023159  1
  Zr  Zr151  1  0.151209  0.023159  0.214236  1
  Zr  Zr152  1  0.162867  1.017968  0.418432  1
  Zr  Zr153  1  0.163891  1.018261  0.618698  1
  Zr  Zr154  1  0.162867  1.017968  0.818963  1
  Zr  Zr155  1  0.151209  0.214236  0.023159  1
  Zr  Zr156  1  0.151209  0.214236  0.214236  1
  Zr  Zr157  1  0.162867  0.219427  0.418432  1
  Zr  Zr158  1  0.163891  0.219134  0.618698  1
  Zr  Zr159  1  0.162867  0.219427  0.818963  1
  Zr  Zr160  1  0.162867  0.418432  1.017968  1
  Zr  Zr161  1  0.162867  0.418432  0.219427  1
  Zr  Zr162  1  0.162699  0.419425  0.419425  1
  Zr  Zr163  1  0.162015  0.418850  0.618698  1
  Zr  Zr164  1  0.162699  0.419425  0.817971  1
  Zr  Zr165  1  0.163891  0.618698  1.018261  1
  Zr  Zr166  1  0.163891  0.618698  0.219134  1
  Zr  Zr167  1  0.162015  0.618698  0.418850  1
  Zr  Zr168  1  0.161167  0.618698  0.618698  1
  Zr  Zr169  1  0.162015  0.618698  0.818546  1
  Zr  Zr170  1  0.162867  0.818963  1.017968  1
  Zr  Zr171  1  0.162867  0.818963  0.219427  1
  Zr  Zr172  1  0.162699  0.817971  0.419425  1
  Zr  Zr173  1  0.162015  0.818546  0.618698  1
  Zr  Zr174  1  0.162699  0.817971  0.817971  1
  Zr  Zr175  1  0.363912  1.018437  1.018437  1
  Zr  Zr176  1  0.363912  1.018437  0.218958  1
  Zr  Zr177  1  0.360777  0.019218  0.417651  1
  Zr  Zr178  1  0.360490  0.019070  0.618698  1
  Zr  Zr179  1  0.360777  0.019218  0.819744  1
  Zr  Zr180  1  0.363912  0.218958  1.018437  1
  Zr  Zr181  1  0.363912  0.218958  0.218958  1
  Zr  Zr182  1  0.360777  0.218177  0.417651  1
  Zr  Zr183  1  0.360490  0.218325  0.618698  1
  Zr  Zr184  1  0.360777  0.218177  0.819744  1
  Zr  Zr185  1  0.360777  0.417651  0.019218  1
  Zr  Zr186  1  0.360777  0.417651  0.218177  1
  Zr  Zr187  1  0.361016  0.417598  0.417598  1
  Zr  Zr188  1  0.362121  0.418429  0.618698  1
  Zr  Zr189  1  0.361016  0.417598  0.819798  1
  Zr  Zr190  1  0.360490  0.618698  0.019070  1
  Zr  Zr191  1  0.360490  0.618698  0.218325  1
  Zr  Zr192  1  0.362121  0.618698  0.418429  1
  Zr  Zr193  1  0.363351  0.618698  0.618698  1
  Zr  Zr194  1  0.362121  0.618698  0.818966  1
  Zr  Zr195  1  0.360777  0.819744  0.019218  1
  Zr  Zr196  1  0.360777  0.819744  0.218177  1
  Zr  Zr197  1  0.361016  0.819798  0.417598  1
  Zr  Zr198  1  0.362121  0.818966  0.618698  1
  Zr  Zr199  1  0.361016  0.819798  0.819798  1
  Zr  Zr200  1  0.561920  1.018622  1.018622  1
  Zr  Zr201  1  0.561920  1.018622  0.218774  1
  Zr  Zr202  1  0.561920  1.018588  0.419332  1
  Zr  Zr203  1  0.561920  0.018749  0.618698  1
  Zr  Zr204  1  0.561920  1.018588  0.818064  1
  Zr  Zr205  1  0.561920  0.218774  1.018622  1
  Zr  Zr206  1  0.561920  0.218774  0.218774  1
  Zr  Zr207  1  0.561920  0.218808  0.419332  1
  Zr  Zr208  1  0.561920  0.218647  0.618698  1
  Zr  Zr209  1  0.561920  0.218808  0.818064  1
  Zr  Zr210  1  0.561920  0.419332  1.018588  1
  Zr  Zr211  1  0.561920  0.419332  0.218808  1
  Zr  Zr212  1  0.561920  0.419122  0.419122  1
  Zr  Zr213  1  0.561920  0.418596  0.618698  1
  Zr  Zr214  1  0.561920  0.419122  0.818273  1
  Zr  Zr215  1  0.561920  0.618698  0.018749  1
  Zr  Zr216  1  0.561920  0.618698  0.218647  1
  Zr  Zr217  1  0.561920  0.618698  0.418596  1
  Zr  Zr218  1  0.561920  0.618698  0.618698  1
  Zr  Zr219  1  0.561920  0.618698  0.818800  1
  Zr  Zr220  1  0.561920  0.818064  1.018588  1
  Zr  Zr221  1  0.561920  0.818064  0.218808  1
  Zr  Zr222  1  0.561920  0.818273  0.419122  1
  Zr  Zr223  1  0.561920  0.818800  0.618698  1
  Zr  Zr224  1  0.561920  0.818273  0.818273  1
  Zr  Zr225  1  0.759928  1.018437  1.018437  1
  Zr  Zr226  1  0.759928  1.018437  0.218958  1
  Zr  Zr227  1  0.763063  0.019218  0.417651  1
  Zr  Zr228  1  0.763350  0.019070  0.618698  1
  Zr  Zr229  1  0.763063  0.019218  0.819744  1
  Zr  Zr230  1  0.759928  0.218958  1.018437  1
  Zr  Zr231  1  0.759928  0.218958  0.218958  1
  Zr  Zr232  1  0.763063  0.218177  0.417651  1
  Zr  Zr233  1  0.763350  0.218325  0.618698  1
  Zr  Zr234  1  0.763063  0.218177  0.819744  1
  Zr  Zr235  1  0.763063  0.417651  0.019218  1
  Zr  Zr236  1  0.763063  0.417651  0.218177  1
  Zr  Zr237  1  0.762823  0.417598  0.417598  1
  Zr  Zr238  1  0.761718  0.418429  0.618698  1
  Zr  Zr239  1  0.762823  0.417598  0.819798  1
  Zr  Zr240  1  0.763350  0.618698  0.019070  1
  Zr  Zr241  1  0.763350  0.618698  0.218325  1
  Zr  Zr242  1  0.761718  0.618698  0.418429  1
  Zr  Zr243  1  0.760488  0.618698  0.618698  1
  Zr  Zr244  1  0.761718  0.618698  0.818966  1
  Zr  Zr245  1  0.763063  0.819744  0.019218  1
  Zr  Zr246  1  0.763063  0.819744  0.218177  1
  Zr  Zr247  1  0.762823  0.819798  0.417598  1
  Zr  Zr248  1  0.761718  0.818966  0.618698  1
  Zr  Zr249  1  0.762823  0.819798  0.819798  1
