# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.98190146
_cell_length_b   31.64253860
_cell_length_c   48.02496418
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.60353609
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr396
_cell_volume   20962.2501058
_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  0.615993  0.906132  0.280844  1
  Zr  Zr2  1  0.282660  0.739465  0.280844  1
  Zr  Zr3  1  0.221882  0.905047  0.292453  1
  Zr  Zr4  1  0.615993  0.406132  0.280844  1
  Zr  Zr5  1  0.555216  0.571713  0.292453  1
  Zr  Zr6  1  0.496345  0.736486  0.304571  1
  Zr  Zr7  1  0.949327  0.572799  0.280844  1
  Zr  Zr8  1  0.888549  0.738380  0.292453  1
  Zr  Zr9  1  0.829679  0.903153  0.304571  1
  Zr  Zr10  1  0.282660  0.239465  0.280844  1
  Zr  Zr11  1  0.221882  0.405047  0.292453  1
  Zr  Zr12  1  0.163012  0.569819  0.304571  1
  Zr  Zr13  1  0.555216  0.071713  0.292453  1
  Zr  Zr14  1  0.496345  0.236486  0.304571  1
  Zr  Zr15  1  0.949327  0.072799  0.280844  1
  Zr  Zr16  1  0.888549  0.238380  0.292453  1
  Zr  Zr17  1  0.829679  0.403153  0.304571  1
  Zr  Zr18  1  0.163012  0.069819  0.304571  1
  Zr  Zr19  1  0.333769  0.817306  0.315841  1
  Zr  Zr20  1  1.000435  0.650640  0.315841  1
  Zr  Zr21  1  0.122030  0.821226  0.290414  1
  Zr  Zr22  1  0.333769  0.317306  0.315841  1
  Zr  Zr23  1  0.455363  0.487893  0.290414  1
  Zr  Zr24  1  0.393295  0.652709  0.302956  1
  Zr  Zr25  1  0.667102  0.483973  0.315841  1
  Zr  Zr26  1  0.788697  0.654560  0.290414  1
  Zr  Zr27  1  0.726628  0.819376  0.302956  1
  Zr  Zr28  1  1.000435  0.150640  0.315841  1
  Zr  Zr29  1  0.122030  0.321226  0.290414  1
  Zr  Zr30  1  0.059962  0.486042  0.302956  1
  Zr  Zr31  1  0.455363  0.987893  0.290414  1
  Zr  Zr32  1  0.393295  0.152709  0.302956  1
  Zr  Zr33  1  0.667102  0.983973  0.315841  1
  Zr  Zr34  1  0.788697  0.154560  0.290414  1
  Zr  Zr35  1  0.726628  0.319376  0.302956  1
  Zr  Zr36  1  0.059962  0.986042  0.302956  1
  Zr  Zr37  1  0.434762  0.899595  0.317946  1
  Zr  Zr38  1  0.101429  0.732929  0.317946  1
  Zr  Zr39  1  0.040676  0.897691  0.331062  1
  Zr  Zr40  1  0.434762  0.399595  0.317946  1
  Zr  Zr41  1  0.374009  0.564358  0.331062  1
  Zr  Zr42  1  0.314673  0.728463  0.345243  1
  Zr  Zr43  1  0.768095  0.566262  0.317946  1
  Zr  Zr44  1  0.707342  0.731025  0.331062  1
  Zr  Zr45  1  0.648006  0.895130  0.345243  1
  Zr  Zr46  1  0.101429  0.232929  0.317946  1
  Zr  Zr47  1  0.040676  0.397691  0.331062  1
  Zr  Zr48  1  0.981339  0.561796  0.345243  1
  Zr  Zr49  1  0.374009  0.064358  0.331062  1
  Zr  Zr50  1  0.314673  0.228463  0.345243  1
  Zr  Zr51  1  0.768095  0.066262  0.317946  1
  Zr  Zr52  1  0.707342  0.231025  0.331062  1
  Zr  Zr53  1  0.648006  0.395130  0.345243  1
  Zr  Zr54  1  0.981339  0.061796  0.345243  1
  Zr  Zr55  1  0.151003  0.809626  0.356254  1
  Zr  Zr56  1  0.817669  0.642959  0.356254  1
  Zr  Zr57  1  0.938449  0.814850  0.329168  1
  Zr  Zr58  1  0.151003  0.309626  0.356254  1
  Zr  Zr59  1  0.271782  0.481517  0.329168  1
  Zr  Zr60  1  0.211640  0.645696  0.342408  1
  Zr  Zr61  1  0.484336  0.476292  0.356254  1
  Zr  Zr62  1  0.605116  0.648184  0.329168  1
  Zr  Zr63  1  0.544973  0.812363  0.342408  1
  Zr  Zr64  1  0.817669  0.142959  0.356254  1
  Zr  Zr65  1  0.938449  0.314850  0.329168  1
  Zr  Zr66  1  0.878306  0.479030  0.342408  1
  Zr  Zr67  1  0.271782  0.981517  0.329168  1
  Zr  Zr68  1  0.211640  0.145696  0.342408  1
  Zr  Zr69  1  0.484336  0.976292  0.356254  1
  Zr  Zr70  1  0.605116  0.148184  0.329168  1
  Zr  Zr71  1  0.544973  0.312363  0.342408  1
  Zr  Zr72  1  0.878306  0.979030  0.342408  1
  Zr  Zr73  1  0.254084  0.892382  0.358240  1
  Zr  Zr74  1  0.920751  0.725715  0.358240  1
  Zr  Zr75  1  0.860788  0.889988  0.371489  1
  Zr  Zr76  1  0.254084  0.392382  0.358240  1
  Zr  Zr77  1  0.194122  0.556654  0.371489  1
  Zr  Zr78  1  0.133321  0.720668  0.385063  1
  Zr  Zr79  1  0.587418  0.559048  0.358240  1
  Zr  Zr80  1  0.527455  0.723321  0.371489  1
  Zr  Zr81  1  0.466654  0.887335  0.385063  1
  Zr  Zr82  1  0.920751  0.225715  0.358240  1
  Zr  Zr83  1  0.860788  0.389988  0.371489  1
  Zr  Zr84  1  0.799988  0.554002  0.385063  1
  Zr  Zr85  1  0.194122  0.056654  0.371489  1
  Zr  Zr86  1  0.133321  0.220668  0.385063  1
  Zr  Zr87  1  0.587418  0.059048  0.358240  1
  Zr  Zr88  1  0.527455  0.223321  0.371489  1
  Zr  Zr89  1  0.466654  0.387335  0.385063  1
  Zr  Zr90  1  0.799988  0.054002  0.385063  1
  Zr  Zr91  1  0.969956  0.801922  0.396264  1
  Zr  Zr92  1  0.636623  0.635255  0.396264  1
  Zr  Zr93  1  0.757740  0.806794  0.369491  1
  Zr  Zr94  1  0.969956  0.301922  0.396264  1
  Zr  Zr95  1  0.091073  0.473460  0.369491  1
  Zr  Zr96  1  0.030894  0.637847  0.382921  1
  Zr  Zr97  1  0.303289  0.468589  0.396264  1
  Zr  Zr98  1  0.424407  0.640127  0.369491  1
  Zr  Zr99  1  0.364228  0.804514  0.382921  1
  Zr  Zr100  1  0.636623  0.135255  0.396264  1
  Zr  Zr101  1  0.757740  0.306794  0.369491  1
  Zr  Zr102  1  0.697561  0.471180  0.382921  1
  Zr  Zr103  1  0.091073  0.973460  0.369491  1
  Zr  Zr104  1  0.030894  0.137847  0.382921  1
  Zr  Zr105  1  0.303289  0.968589  0.396264  1
  Zr  Zr106  1  0.424407  0.140127  0.369491  1
  Zr  Zr107  1  0.364228  0.304514  0.382921  1
  Zr  Zr108  1  0.697561  0.971180  0.382921  1
  Zr  Zr109  1  0.072913  0.884867  0.398360  1
  Zr  Zr110  1  0.739580  0.718200  0.398360  1
  Zr  Zr111  1  0.679451  0.882348  0.411641  1
  Zr  Zr112  1  0.072913  0.384867  0.398360  1
  Zr  Zr113  1  0.012785  0.549014  0.411641  1
  Zr  Zr114  1  0.952048  0.713164  0.424989  1
  Zr  Zr115  1  0.406246  0.551534  0.398360  1
  Zr  Zr116  1  0.346118  0.715681  0.411641  1
  Zr  Zr117  1  0.285381  0.879831  0.424989  1
  Zr  Zr118  1  0.739580  0.218200  0.398360  1
  Zr  Zr119  1  0.679451  0.382348  0.411641  1
  Zr  Zr120  1  0.618714  0.546497  0.424989  1
  Zr  Zr121  1  0.012785  0.049014  0.411641  1
  Zr  Zr122  1  0.952048  0.213164  0.424989  1
  Zr  Zr123  1  0.406246  0.051534  0.398360  1
  Zr  Zr124  1  0.346118  0.215681  0.411641  1
  Zr  Zr125  1  0.285381  0.379831  0.424989  1
  Zr  Zr126  1  0.618714  0.046497  0.424989  1
  Zr  Zr127  1  0.788727  0.794354  0.436283  1
  Zr  Zr128  1  0.455394  0.627688  0.436283  1
  Zr  Zr129  1  0.576437  0.799422  0.409589  1
  Zr  Zr130  1  0.788727  0.294354  0.436283  1
  Zr  Zr131  1  0.909771  0.466089  0.409589  1
  Zr  Zr132  1  0.849245  0.630206  0.422875  1
  Zr  Zr133  1  0.122061  0.461021  0.436283  1
  Zr  Zr134  1  0.243104  0.632756  0.409589  1
  Zr  Zr135  1  0.182578  0.796873  0.422875  1
  Zr  Zr136  1  0.455394  0.127688  0.436283  1
  Zr  Zr137  1  0.576437  0.299422  0.409589  1
  Zr  Zr138  1  0.515912  0.463540  0.422875  1
  Zr  Zr139  1  0.909771  0.966089  0.409589  1
  Zr  Zr140  1  0.849245  0.130206  0.422875  1
  Zr  Zr141  1  0.122061  0.961021  0.436283  1
  Zr  Zr142  1  0.243104  0.132756  0.409589  1
  Zr  Zr143  1  0.182578  0.296873  0.422875  1
  Zr  Zr144  1  0.515912  0.963540  0.422875  1
  Zr  Zr145  1  0.891715  0.877333  0.438337  1
  Zr  Zr146  1  0.558382  0.710666  0.438337  1
  Zr  Zr147  1  0.497977  0.874786  0.451716  1
  Zr  Zr148  1  0.891715  0.377333  0.438337  1
  Zr  Zr149  1  0.831310  0.541453  0.451716  1
  Zr  Zr150  1  0.770838  0.705575  0.465079  1
  Zr  Zr151  1  0.225049  0.543999  0.438337  1
  Zr  Zr152  1  0.164643  0.708120  0.451716  1
  Zr  Zr153  1  0.104171  0.872242  0.465079  1
  Zr  Zr154  1  0.558382  0.210666  0.438337  1
  Zr  Zr155  1  0.497977  0.374786  0.451716  1
  Zr  Zr156  1  0.437505  0.538908  0.465079  1
  Zr  Zr157  1  0.831310  0.041453  0.451716  1
  Zr  Zr158  1  0.770838  0.205575  0.465079  1
  Zr  Zr159  1  0.225049  0.043999  0.438337  1
  Zr  Zr160  1  0.164643  0.208120  0.451716  1
  Zr  Zr161  1  0.104171  0.372242  0.465079  1
  Zr  Zr162  1  0.437505  0.038908  0.465079  1
  Zr  Zr163  1  0.607437  0.786790  0.476357  1
  Zr  Zr164  1  0.274104  0.620124  0.476357  1
  Zr  Zr165  1  0.395002  0.791867  0.449651  1
  Zr  Zr166  1  0.607437  0.286790  0.476357  1
  Zr  Zr167  1  0.728335  0.458534  0.449651  1
  Zr  Zr168  1  0.667877  0.622655  0.462986  1
  Zr  Zr169  1  0.940771  0.453457  0.476357  1
  Zr  Zr170  1  0.061669  0.625200  0.449651  1
  Zr  Zr171  1  1.001210  0.789321  0.462986  1
  Zr  Zr172  1  0.274104  0.120124  0.476357  1
  Zr  Zr173  1  0.395002  0.291867  0.449651  1
  Zr  Zr174  1  0.334543  0.455988  0.462986  1
  Zr  Zr175  1  0.728335  0.958534  0.449651  1
  Zr  Zr176  1  0.667877  0.122655  0.462986  1
  Zr  Zr177  1  0.940771  0.953457  0.476357  1
  Zr  Zr178  1  0.061669  0.125200  0.449651  1
  Zr  Zr179  1  1.001210  0.289321  0.462986  1
  Zr  Zr180  1  0.334543  0.955988  0.462986  1
  Zr  Zr181  1  0.710431  0.869744  0.478400  1
  Zr  Zr182  1  0.377097  0.703077  0.478400  1
  Zr  Zr183  1  0.316615  0.867228  0.491762  1
  Zr  Zr184  1  0.710431  0.369744  0.478400  1
  Zr  Zr185  1  0.649949  0.533895  0.491762  1
  Zr  Zr186  1  0.589495  0.698031  0.505125  1
  Zr  Zr187  1  0.043764  0.536411  0.478400  1
  Zr  Zr188  1  0.983282  0.700562  0.491762  1
  Zr  Zr189  1  0.922829  0.864697  0.505125  1
  Zr  Zr190  1  0.377097  0.203077  0.478400  1
  Zr  Zr191  1  0.316615  0.367228  0.491762  1
  Zr  Zr192  1  0.256162  0.531364  0.505125  1
  Zr  Zr193  1  0.649949  0.033895  0.491762  1
  Zr  Zr194  1  0.589495  0.198031  0.505125  1
  Zr  Zr195  1  0.043764  0.036411  0.478400  1
  Zr  Zr196  1  0.983282  0.200562  0.491762  1
  Zr  Zr197  1  0.922829  0.364697  0.505125  1
  Zr  Zr198  1  0.256162  0.031364  0.505125  1
  Zr  Zr199  1  0.426062  0.779234  0.516409  1
  Zr  Zr200  1  0.092728  0.612568  0.516409  1
  Zr  Zr201  1  0.213663  0.784281  0.489685  1
  Zr  Zr202  1  0.426062  0.279234  0.516409  1
  Zr  Zr203  1  0.546997  0.450948  0.489685  1
  Zr  Zr204  1  0.486544  0.615083  0.503047  1
  Zr  Zr205  1  0.759395  0.445901  0.516409  1
  Zr  Zr206  1  0.880330  0.617614  0.489685  1
  Zr  Zr207  1  0.819877  0.781750  0.503047  1
  Zr  Zr208  1  0.092728  0.112568  0.516409  1
  Zr  Zr209  1  0.213663  0.284281  0.489685  1
  Zr  Zr210  1  0.153210  0.448416  0.503047  1
  Zr  Zr211  1  0.546997  0.950948  0.489685  1
  Zr  Zr212  1  0.486544  0.115083  0.503047  1
  Zr  Zr213  1  0.759395  0.945901  0.516409  1
  Zr  Zr214  1  0.880330  0.117614  0.489685  1
  Zr  Zr215  1  0.819877  0.281750  0.503047  1
  Zr  Zr216  1  0.153210  0.948416  0.503047  1
  Zr  Zr217  1  0.529055  0.862188  0.518452  1
  Zr  Zr218  1  0.195721  0.695521  0.518452  1
  Zr  Zr219  1  0.135282  0.859657  0.531823  1
  Zr  Zr220  1  0.529055  0.362188  0.518452  1
  Zr  Zr221  1  0.468616  0.526323  0.531823  1
  Zr  Zr222  1  0.408157  0.690444  0.545158  1
  Zr  Zr223  1  0.862388  0.528854  0.518452  1
  Zr  Zr224  1  0.801949  0.692990  0.531823  1
  Zr  Zr225  1  0.741490  0.857111  0.545158  1
  Zr  Zr226  1  0.195721  0.195521  0.518452  1
  Zr  Zr227  1  0.135282  0.359657  0.531823  1
  Zr  Zr228  1  0.074823  0.523778  0.545158  1
  Zr  Zr229  1  0.468616  0.026323  0.531823  1
  Zr  Zr230  1  0.408157  0.190444  0.545158  1
  Zr  Zr231  1  0.862388  0.028854  0.518452  1
  Zr  Zr232  1  0.801949  0.192990  0.531823  1
  Zr  Zr233  1  0.741490  0.357111  0.545158  1
  Zr  Zr234  1  0.074823  0.023778  0.545158  1
  Zr  Zr235  1  0.244777  0.771645  0.556472  1
  Zr  Zr236  1  0.911444  0.604979  0.556472  1
  Zr  Zr237  1  0.032321  0.776737  0.529731  1
  Zr  Zr238  1  0.244777  0.271645  0.556472  1
  Zr  Zr239  1  0.365654  0.443403  0.529731  1
  Zr  Zr240  1  0.305182  0.607525  0.543093  1
  Zr  Zr241  1  0.578110  0.438312  0.556472  1
  Zr  Zr242  1  0.698988  0.610070  0.529731  1
  Zr  Zr243  1  0.638515  0.774192  0.543093  1
  Zr  Zr244  1  0.911444  0.104979  0.556472  1
  Zr  Zr245  1  0.032321  0.276737  0.529731  1
  Zr  Zr246  1  0.971849  0.440858  0.543093  1
  Zr  Zr247  1  0.365654  0.943403  0.529731  1
  Zr  Zr248  1  0.305182  0.107525  0.543093  1
  Zr  Zr249  1  0.578110  0.938312  0.556472  1
  Zr  Zr250  1  0.698988  0.110070  0.529731  1
  Zr  Zr251  1  0.638515  0.274192  0.543093  1
  Zr  Zr252  1  0.971849  0.940858  0.543093  1
  Zr  Zr253  1  0.347765  0.854624  0.558526  1
  Zr  Zr254  1  0.014432  0.687957  0.558526  1
  Zr  Zr255  1  0.953914  0.852105  0.571934  1
  Zr  Zr256  1  0.347765  0.354624  0.558526  1
  Zr  Zr257  1  0.287247  0.518772  0.571934  1
  Zr  Zr258  1  0.226722  0.682889  0.585220  1
  Zr  Zr259  1  0.681098  0.521290  0.558526  1
  Zr  Zr260  1  0.620581  0.685439  0.571934  1
  Zr  Zr261  1  0.560055  0.849556  0.585220  1
  Zr  Zr262  1  0.014432  0.187957  0.558526  1
  Zr  Zr263  1  0.953914  0.352105  0.571934  1
  Zr  Zr264  1  0.893388  0.516222  0.585220  1
  Zr  Zr265  1  0.287247  0.018772  0.571934  1
  Zr  Zr266  1  0.226722  0.182889  0.585220  1
  Zr  Zr267  1  0.681098  0.021290  0.558526  1
  Zr  Zr268  1  0.620581  0.185439  0.571934  1
  Zr  Zr269  1  0.560055  0.349556  0.585220  1
  Zr  Zr270  1  0.893388  0.016222  0.585220  1
  Zr  Zr271  1  0.063579  0.764111  0.596449  1
  Zr  Zr272  1  0.730246  0.597444  0.596449  1
  Zr  Zr273  1  0.851111  0.769147  0.569820  1
  Zr  Zr274  1  0.063579  0.264111  0.596449  1
  Zr  Zr275  1  0.184445  0.435814  0.569820  1
  Zr  Zr276  1  0.123708  0.599964  0.583168  1
  Zr  Zr277  1  0.396913  0.430778  0.596449  1
  Zr  Zr278  1  0.517778  0.602481  0.569820  1
  Zr  Zr279  1  0.457041  0.766630  0.583168  1
  Zr  Zr280  1  0.730246  0.097444  0.596449  1
  Zr  Zr281  1  0.851111  0.269147  0.569820  1
  Zr  Zr282  1  0.790374  0.433297  0.583168  1
  Zr  Zr283  1  0.184445  0.935814  0.569820  1
  Zr  Zr284  1  0.123708  0.099964  0.583168  1
  Zr  Zr285  1  0.396913  0.930778  0.596449  1
  Zr  Zr286  1  0.517778  0.102481  0.569820  1
  Zr  Zr287  1  0.457041  0.266630  0.583168  1
  Zr  Zr288  1  0.790374  0.933297  0.583168  1
  Zr  Zr289  1  0.166536  0.847056  0.598545  1
  Zr  Zr290  1  0.833203  0.680389  0.598545  1
  Zr  Zr291  1  0.772265  0.844464  0.611888  1
  Zr  Zr292  1  0.166536  0.347056  0.598545  1
  Zr  Zr293  1  0.105598  0.511131  0.611888  1
  Zr  Zr294  1  0.045419  0.675518  0.625318  1
  Zr  Zr295  1  0.499870  0.513723  0.598545  1
  Zr  Zr296  1  0.438931  0.677798  0.611888  1
  Zr  Zr297  1  0.378752  0.842185  0.625318  1
  Zr  Zr298  1  0.833203  0.180389  0.598545  1
  Zr  Zr299  1  0.772265  0.344464  0.611888  1
  Zr  Zr300  1  0.712086  0.508851  0.625318  1
  Zr  Zr301  1  0.105598  0.011131  0.611888  1
  Zr  Zr302  1  0.045419  0.175518  0.625318  1
  Zr  Zr303  1  0.499870  0.013723  0.598545  1
  Zr  Zr304  1  0.438931  0.177798  0.611888  1
  Zr  Zr305  1  0.378752  0.342185  0.625318  1
  Zr  Zr306  1  0.712086  0.008851  0.625318  1
  Zr  Zr307  1  0.882408  0.756596  0.636569  1
  Zr  Zr308  1  0.549074  0.589930  0.636569  1
  Zr  Zr309  1  0.669838  0.761643  0.609746  1
  Zr  Zr310  1  0.882408  0.256596  0.636569  1
  Zr  Zr311  1  0.003171  0.428310  0.609746  1
  Zr  Zr312  1  0.942371  0.592324  0.623320  1
  Zr  Zr313  1  0.215741  0.423263  0.636569  1
  Zr  Zr314  1  0.336504  0.594976  0.609746  1
  Zr  Zr315  1  0.275704  0.758990  0.623320  1
  Zr  Zr316  1  0.549074  0.089930  0.636569  1
  Zr  Zr317  1  0.669838  0.261643  0.609746  1
  Zr  Zr318  1  0.609037  0.425657  0.623320  1
  Zr  Zr319  1  0.003171  0.928310  0.609746  1
  Zr  Zr320  1  0.942371  0.092324  0.623320  1
  Zr  Zr321  1  0.215741  0.923263  0.636569  1
  Zr  Zr322  1  0.336504  0.094976  0.609746  1
  Zr  Zr323  1  0.275704  0.258990  0.623320  1
  Zr  Zr324  1  0.609037  0.925657  0.623320  1
  Zr  Zr325  1  0.985490  0.839352  0.638555  1
  Zr  Zr326  1  0.652156  0.672686  0.638555  1
  Zr  Zr327  1  0.591519  0.836615  0.652401  1
  Zr  Zr328  1  0.985490  0.339352  0.638555  1
  Zr  Zr329  1  0.924852  0.503282  0.652401  1
  Zr  Zr330  1  0.864710  0.667461  0.665641  1
  Zr  Zr331  1  0.318823  0.506019  0.638555  1
  Zr  Zr332  1  0.258186  0.669948  0.652401  1
  Zr  Zr333  1  0.198043  0.834128  0.665641  1
  Zr  Zr334  1  0.652156  0.172686  0.638555  1
  Zr  Zr335  1  0.591519  0.336615  0.652401  1
  Zr  Zr336  1  0.531376  0.500794  0.665641  1
  Zr  Zr337  1  0.924852  0.003282  0.652401  1
  Zr  Zr338  1  0.864710  0.167461  0.665641  1
  Zr  Zr339  1  0.318823  0.006019  0.638555  1
  Zr  Zr340  1  0.258186  0.169948  0.652401  1
  Zr  Zr341  1  0.198043  0.334128  0.665641  1
  Zr  Zr342  1  0.531376  1.000794  0.665641  1
  Zr  Zr343  1  0.701730  0.749383  0.676863  1
  Zr  Zr344  1  0.368397  0.582716  0.676863  1
  Zr  Zr345  1  0.488486  0.753849  0.649566  1
  Zr  Zr346  1  0.701730  0.249383  0.676863  1
  Zr  Zr347  1  0.821820  0.420515  0.649566  1
  Zr  Zr348  1  0.762483  0.584620  0.663747  1
  Zr  Zr349  1  0.035064  0.416049  0.676863  1
  Zr  Zr350  1  0.155153  0.587182  0.649566  1
  Zr  Zr351  1  0.095817  0.751287  0.663747  1
  Zr  Zr352  1  0.368397  0.082716  0.676863  1
  Zr  Zr353  1  0.488486  0.253849  0.649566  1
  Zr  Zr354  1  0.429150  0.417953  0.663747  1
  Zr  Zr355  1  0.821820  0.920515  0.649566  1
  Zr  Zr356  1  0.762483  0.084620  0.663747  1
  Zr  Zr357  1  0.035064  0.916049  0.676863  1
  Zr  Zr358  1  0.155153  0.087182  0.649566  1
  Zr  Zr359  1  0.095817  0.251287  0.663747  1
  Zr  Zr360  1  0.429150  0.917953  0.663747  1
  Zr  Zr361  1  0.802724  0.831672  0.678968  1
  Zr  Zr362  1  0.469390  0.665005  0.678968  1
  Zr  Zr363  1  0.409864  0.829602  0.691853  1
  Zr  Zr364  1  0.802724  0.331672  0.678968  1
  Zr  Zr365  1  0.743197  0.496269  0.691853  1
  Zr  Zr366  1  0.681129  0.661085  0.704395  1
  Zr  Zr367  1  0.136057  0.498338  0.678968  1
  Zr  Zr368  1  0.076531  0.662936  0.691853  1
  Zr  Zr369  1  0.014462  0.827752  0.704395  1
  Zr  Zr370  1  0.469390  0.165005  0.678968  1
  Zr  Zr371  1  0.409864  0.329602  0.691853  1
  Zr  Zr372  1  0.347796  0.494418  0.704395  1
  Zr  Zr373  1  0.743197  0.996269  0.691853  1
  Zr  Zr374  1  0.681129  0.161085  0.704395  1
  Zr  Zr375  1  0.136057  0.998338  0.678968  1
  Zr  Zr376  1  0.076531  0.162936  0.691853  1
  Zr  Zr377  1  0.014462  0.327752  0.704395  1
  Zr  Zr378  1  0.347796  0.994418  0.704395  1
  Zr  Zr379  1  0.520499  0.742846  0.713965  1
  Zr  Zr380  1  0.187166  0.576180  0.713965  1
  Zr  Zr381  1  0.306814  0.745825  0.690238  1
  Zr  Zr382  1  0.520499  0.242846  0.713965  1
  Zr  Zr383  1  0.640147  0.412492  0.690238  1
  Zr  Zr384  1  0.581276  0.577265  0.702356  1
  Zr  Zr385  1  0.853832  0.409513  0.713965  1
  Zr  Zr386  1  0.973480  0.579159  0.690238  1
  Zr  Zr387  1  0.914610  0.743931  0.702356  1
  Zr  Zr388  1  0.187166  0.076180  0.713965  1
  Zr  Zr389  1  0.306814  0.245825  0.690238  1
  Zr  Zr390  1  0.247943  0.410598  0.702356  1
  Zr  Zr391  1  0.640147  0.912492  0.690238  1
  Zr  Zr392  1  0.581276  0.077265  0.702356  1
  Zr  Zr393  1  0.853832  0.909513  0.713965  1
  Zr  Zr394  1  0.973480  0.079159  0.690238  1
  Zr  Zr395  1  0.914610  0.243931  0.702356  1
  Zr  Zr396  1  0.247943  0.910598  0.702356  1
