# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.42583135
_cell_length_b   23.83655312
_cell_length_c   50.13684874
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.95654367
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr288
_cell_volume   14665.3884695
_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  0.945176  0.670415  0.316884  1
  Zr  Zr2  1  0.611843  0.503749  0.316884  1
  Zr  Zr3  1  0.715756  0.702799  0.284575  1
  Zr  Zr4  1  0.945176  0.170415  0.316884  1
  Zr  Zr5  1  0.049090  0.369466  0.284575  1
  Zr  Zr6  1  0.968178  0.502684  0.295166  1
  Zr  Zr7  1  0.278509  0.337082  0.316884  1
  Zr  Zr8  1  0.382423  0.536133  0.284575  1
  Zr  Zr9  1  0.301511  0.669350  0.295166  1
  Zr  Zr10  1  0.611843  1.003749  0.316884  1
  Zr  Zr11  1  0.715756  0.202799  0.284575  1
  Zr  Zr12  1  0.634844  0.336017  0.295166  1
  Zr  Zr13  1  0.049090  0.869466  0.284575  1
  Zr  Zr14  1  0.968178  1.002684  0.295166  1
  Zr  Zr15  1  0.278509  0.837082  0.316884  1
  Zr  Zr16  1  0.382423  0.036133  0.284575  1
  Zr  Zr17  1  0.301511  0.169350  0.295166  1
  Zr  Zr18  1  0.634844  0.836017  0.295166  1
  Zr  Zr19  1  0.882423  0.786133  0.284575  1
  Zr  Zr20  1  0.549090  0.619466  0.284575  1
  Zr  Zr21  1  0.468178  0.752684  0.295166  1
  Zr  Zr22  1  0.882423  0.286133  0.284575  1
  Zr  Zr23  1  0.801511  0.419350  0.295166  1
  Zr  Zr24  1  0.778509  0.587082  0.316884  1
  Zr  Zr25  1  0.215756  0.452799  0.284575  1
  Zr  Zr26  1  0.134844  0.586017  0.295166  1
  Zr  Zr27  1  0.111843  0.753749  0.316884  1
  Zr  Zr28  1  0.549090  0.119466  0.284575  1
  Zr  Zr29  1  0.468178  0.252684  0.295166  1
  Zr  Zr30  1  0.445176  0.420415  0.316884  1
  Zr  Zr31  1  0.801511  0.919350  0.295166  1
  Zr  Zr32  1  0.778509  0.087082  0.316884  1
  Zr  Zr33  1  0.215756  0.952799  0.284575  1
  Zr  Zr34  1  0.134844  0.086017  0.295166  1
  Zr  Zr35  1  0.111843  0.253749  0.316884  1
  Zr  Zr36  1  0.445176  0.920415  0.316884  1
  Zr  Zr37  1  0.820912  0.647030  0.373447  1
  Zr  Zr38  1  0.487578  0.480364  0.373447  1
  Zr  Zr39  1  0.592736  0.676922  0.339424  1
  Zr  Zr40  1  0.820912  0.147030  0.373447  1
  Zr  Zr41  1  0.926069  0.343588  0.339424  1
  Zr  Zr42  1  0.842911  0.476055  0.351684  1
  Zr  Zr43  1  0.154245  0.313697  0.373447  1
  Zr  Zr44  1  0.259402  0.510255  0.339424  1
  Zr  Zr45  1  0.176244  0.642722  0.351684  1
  Zr  Zr46  1  0.487578  0.980364  0.373447  1
  Zr  Zr47  1  0.592736  0.176922  0.339424  1
  Zr  Zr48  1  0.509577  0.309389  0.351684  1
  Zr  Zr49  1  0.926069  0.843588  0.339424  1
  Zr  Zr50  1  0.842911  0.976055  0.351684  1
  Zr  Zr51  1  0.154245  0.813697  0.373447  1
  Zr  Zr52  1  0.259402  0.010255  0.339424  1
  Zr  Zr53  1  0.176244  0.142722  0.351684  1
  Zr  Zr54  1  0.509577  0.809389  0.351684  1
  Zr  Zr55  1  0.759402  0.760255  0.339424  1
  Zr  Zr56  1  0.426069  0.593588  0.339424  1
  Zr  Zr57  1  0.342911  0.726055  0.351684  1
  Zr  Zr58  1  0.759402  0.260255  0.339424  1
  Zr  Zr59  1  0.676244  0.392722  0.351684  1
  Zr  Zr60  1  0.654245  0.563697  0.373447  1
  Zr  Zr61  1  0.092736  0.426922  0.339424  1
  Zr  Zr62  1  0.009577  0.559389  0.351684  1
  Zr  Zr63  1  0.987578  0.730364  0.373447  1
  Zr  Zr64  1  0.426069  0.093588  0.339424  1
  Zr  Zr65  1  0.342911  0.226055  0.351684  1
  Zr  Zr66  1  0.320912  0.397030  0.373447  1
  Zr  Zr67  1  0.676244  0.892722  0.351684  1
  Zr  Zr68  1  0.654245  0.063697  0.373447  1
  Zr  Zr69  1  0.092736  0.926922  0.339424  1
  Zr  Zr70  1  0.009577  0.059389  0.351684  1
  Zr  Zr71  1  0.987578  0.230364  0.373447  1
  Zr  Zr72  1  0.320912  0.897030  0.373447  1
  Zr  Zr73  1  0.698062  0.621404  0.430655  1
  Zr  Zr74  1  0.364729  0.454737  0.430655  1
  Zr  Zr75  1  0.468634  0.651393  0.395695  1
  Zr  Zr76  1  0.698062  0.121404  0.430655  1
  Zr  Zr77  1  0.801967  0.318060  0.395695  1
  Zr  Zr78  1  0.715673  0.452281  0.408744  1
  Zr  Zr79  1  0.031395  0.288070  0.430655  1
  Zr  Zr80  1  0.135301  0.484727  0.395695  1
  Zr  Zr81  1  0.049007  0.618948  0.408744  1
  Zr  Zr82  1  0.364729  0.954737  0.430655  1
  Zr  Zr83  1  0.468634  0.151393  0.395695  1
  Zr  Zr84  1  0.382340  0.285614  0.408744  1
  Zr  Zr85  1  0.801967  0.818060  0.395695  1
  Zr  Zr86  1  0.715673  0.952281  0.408744  1
  Zr  Zr87  1  0.031395  0.788070  0.430655  1
  Zr  Zr88  1  0.135301  0.984727  0.395695  1
  Zr  Zr89  1  0.049007  0.118948  0.408744  1
  Zr  Zr90  1  0.382340  0.785614  0.408744  1
  Zr  Zr91  1  0.635301  0.734727  0.395695  1
  Zr  Zr92  1  0.301967  0.568060  0.395695  1
  Zr  Zr93  1  0.215673  0.702281  0.408744  1
  Zr  Zr94  1  0.635301  0.234727  0.395695  1
  Zr  Zr95  1  0.549007  0.368948  0.408744  1
  Zr  Zr96  1  0.531395  0.538070  0.430655  1
  Zr  Zr97  1  0.968634  0.401393  0.395695  1
  Zr  Zr98  1  0.882340  0.535614  0.408744  1
  Zr  Zr99  1  0.864729  0.704737  0.430655  1
  Zr  Zr100  1  0.301967  0.068060  0.395695  1
  Zr  Zr101  1  0.215673  0.202281  0.408744  1
  Zr  Zr102  1  0.198062  0.371404  0.430655  1
  Zr  Zr103  1  0.549007  0.868948  0.408744  1
  Zr  Zr104  1  0.531395  0.038070  0.430655  1
  Zr  Zr105  1  0.968634  0.901393  0.395695  1
  Zr  Zr106  1  0.882340  0.035614  0.408744  1
  Zr  Zr107  1  0.864729  0.204737  0.430655  1
  Zr  Zr108  1  0.198062  0.871404  0.430655  1
  Zr  Zr109  1  0.565272  0.601311  0.486079  1
  Zr  Zr110  1  0.231938  0.434645  0.486079  1
  Zr  Zr111  1  0.341258  0.627631  0.450496  1
  Zr  Zr112  1  0.565272  0.101311  0.486079  1
  Zr  Zr113  1  0.674592  0.294297  0.450496  1
  Zr  Zr114  1  0.592691  0.426790  0.468502  1
  Zr  Zr115  1  0.898605  0.267978  0.486079  1
  Zr  Zr116  1  0.007925  0.460964  0.450496  1
  Zr  Zr117  1  0.926024  0.593457  0.468502  1
  Zr  Zr118  1  0.231938  0.934645  0.486079  1
  Zr  Zr119  1  0.341258  0.127631  0.450496  1
  Zr  Zr120  1  0.259357  0.260123  0.468502  1
  Zr  Zr121  1  0.674592  0.794297  0.450496  1
  Zr  Zr122  1  0.592691  0.926790  0.468502  1
  Zr  Zr123  1  0.898605  0.767978  0.486079  1
  Zr  Zr124  1  0.007925  0.960964  0.450496  1
  Zr  Zr125  1  0.926024  0.093457  0.468502  1
  Zr  Zr126  1  0.259357  0.760123  0.468502  1
  Zr  Zr127  1  0.507925  0.710964  0.450496  1
  Zr  Zr128  1  0.174592  0.544297  0.450496  1
  Zr  Zr129  1  0.092691  0.676790  0.468502  1
  Zr  Zr130  1  0.507925  0.210964  0.450496  1
  Zr  Zr131  1  0.426024  0.343457  0.468502  1
  Zr  Zr132  1  0.398605  0.517978  0.486079  1
  Zr  Zr133  1  0.841258  0.377631  0.450496  1
  Zr  Zr134  1  0.759357  0.510123  0.468502  1
  Zr  Zr135  1  0.731938  0.684645  0.486079  1
  Zr  Zr136  1  0.174592  0.044297  0.450496  1
  Zr  Zr137  1  0.092691  0.176790  0.468502  1
  Zr  Zr138  1  0.065272  0.351311  0.486079  1
  Zr  Zr139  1  0.426024  0.843457  0.468502  1
  Zr  Zr140  1  0.398605  0.017978  0.486079  1
  Zr  Zr141  1  0.841258  0.877631  0.450496  1
  Zr  Zr142  1  0.759357  0.010123  0.468502  1
  Zr  Zr143  1  0.731938  0.184645  0.486079  1
  Zr  Zr144  1  0.065272  0.851311  0.486079  1
  Zr  Zr145  1  0.371325  0.541796  0.544605  1
  Zr  Zr146  1  0.037991  0.375129  0.544605  1
  Zr  Zr147  1  0.147311  0.568115  0.509022  1
  Zr  Zr148  1  0.371325  0.041796  0.544605  1
  Zr  Zr149  1  0.480645  0.234782  0.509022  1
  Zr  Zr150  1  0.453225  0.409303  0.526600  1
  Zr  Zr151  1  0.704658  0.208462  0.544605  1
  Zr  Zr152  1  0.813978  0.401448  0.509022  1
  Zr  Zr153  1  0.786559  0.575970  0.526600  1
  Zr  Zr154  1  0.037991  0.875129  0.544605  1
  Zr  Zr155  1  0.147311  0.068115  0.509022  1
  Zr  Zr156  1  0.119892  0.242636  0.526600  1
  Zr  Zr157  1  0.480645  0.734782  0.509022  1
  Zr  Zr158  1  0.453225  0.909303  0.526600  1
  Zr  Zr159  1  0.704658  0.708462  0.544605  1
  Zr  Zr160  1  0.813978  0.901448  0.509022  1
  Zr  Zr161  1  0.786559  0.075970  0.526600  1
  Zr  Zr162  1  0.119892  0.742636  0.526600  1
  Zr  Zr163  1  0.313978  0.651448  0.509022  1
  Zr  Zr164  1  0.980645  0.484782  0.509022  1
  Zr  Zr165  1  0.953225  0.659303  0.526600  1
  Zr  Zr166  1  0.313978  0.151448  0.509022  1
  Zr  Zr167  1  0.286559  0.325970  0.526600  1
  Zr  Zr168  1  0.204658  0.458462  0.544605  1
  Zr  Zr169  1  0.647311  0.318115  0.509022  1
  Zr  Zr170  1  0.619892  0.492636  0.526600  1
  Zr  Zr171  1  0.537991  0.625129  0.544605  1
  Zr  Zr172  1  0.980645  0.984782  0.509022  1
  Zr  Zr173  1  0.953225  0.159303  0.526600  1
  Zr  Zr174  1  0.871325  0.291796  0.544605  1
  Zr  Zr175  1  0.286559  0.825970  0.526600  1
  Zr  Zr176  1  0.204658  0.958462  0.544605  1
  Zr  Zr177  1  0.647311  0.818115  0.509022  1
  Zr  Zr178  1  0.619892  0.992636  0.526600  1
  Zr  Zr179  1  0.537991  0.125129  0.544605  1
  Zr  Zr180  1  0.871325  0.791796  0.544605  1
  Zr  Zr181  1  0.243949  0.518033  0.599407  1
  Zr  Zr182  1  0.910616  0.351366  0.599407  1
  Zr  Zr183  1  0.014521  0.548022  0.564447  1
  Zr  Zr184  1  0.243949  0.018033  0.599407  1
  Zr  Zr185  1  0.347854  0.214689  0.564447  1
  Zr  Zr186  1  0.330243  0.383812  0.586358  1
  Zr  Zr187  1  0.577282  0.184699  0.599407  1
  Zr  Zr188  1  0.681188  0.381356  0.564447  1
  Zr  Zr189  1  0.663576  0.550479  0.586358  1
  Zr  Zr190  1  0.910616  0.851366  0.599407  1
  Zr  Zr191  1  0.014521  0.048022  0.564447  1
  Zr  Zr192  1  -0.003091  0.217145  0.586358  1
  Zr  Zr193  1  0.347854  0.714689  0.564447  1
  Zr  Zr194  1  0.330243  0.883812  0.586358  1
  Zr  Zr195  1  0.577282  0.684699  0.599407  1
  Zr  Zr196  1  0.681188  0.881356  0.564447  1
  Zr  Zr197  1  0.663576  0.050479  0.586358  1
  Zr  Zr198  1  -0.003091  0.717145  0.586358  1
  Zr  Zr199  1  0.181188  0.631356  0.564447  1
  Zr  Zr200  1  0.847854  0.464689  0.564447  1
  Zr  Zr201  1  0.830243  0.633812  0.586358  1
  Zr  Zr202  1  0.181188  0.131356  0.564447  1
  Zr  Zr203  1  0.163576  0.300479  0.586358  1
  Zr  Zr204  1  0.077282  0.434699  0.599407  1
  Zr  Zr205  1  0.514521  0.298022  0.564447  1
  Zr  Zr206  1  0.496909  0.467145  0.586358  1
  Zr  Zr207  1  0.410616  0.601366  0.599407  1
  Zr  Zr208  1  0.847854  0.964689  0.564447  1
  Zr  Zr209  1  0.830243  0.133812  0.586358  1
  Zr  Zr210  1  0.743949  0.268033  0.599407  1
  Zr  Zr211  1  0.163576  0.800479  0.586358  1
  Zr  Zr212  1  0.077282  0.934699  0.599407  1
  Zr  Zr213  1  0.514521  0.798022  0.564447  1
  Zr  Zr214  1  0.496909  0.967145  0.586358  1
  Zr  Zr215  1  0.410616  0.101366  0.599407  1
  Zr  Zr216  1  0.743949  0.768033  0.599407  1
  Zr  Zr217  1  0.119847  0.492505  0.655678  1
  Zr  Zr218  1  0.786514  0.325838  0.655678  1
  Zr  Zr219  1  0.891671  0.522396  0.621655  1
  Zr  Zr220  1  0.119847  0.992505  0.655678  1
  Zr  Zr221  1  0.225005  0.189063  0.621655  1
  Zr  Zr222  1  0.203006  0.360038  0.643418  1
  Zr  Zr223  1  0.453180  0.159171  0.655678  1
  Zr  Zr224  1  0.558338  0.355729  0.621655  1
  Zr  Zr225  1  0.536339  0.526704  0.643418  1
  Zr  Zr226  1  0.786514  0.825838  0.655678  1
  Zr  Zr227  1  0.891671  0.022396  0.621655  1
  Zr  Zr228  1  0.869672  0.193371  0.643418  1
  Zr  Zr229  1  0.225005  0.689063  0.621655  1
  Zr  Zr230  1  0.203006  0.860038  0.643418  1
  Zr  Zr231  1  0.453180  0.659171  0.655678  1
  Zr  Zr232  1  0.558338  0.855729  0.621655  1
  Zr  Zr233  1  0.536339  0.026704  0.643418  1
  Zr  Zr234  1  0.869672  0.693371  0.643418  1
  Zr  Zr235  1  0.058338  0.605729  0.621655  1
  Zr  Zr236  1  0.725005  0.439063  0.621655  1
  Zr  Zr237  1  0.703006  0.610038  0.643418  1
  Zr  Zr238  1  0.058338  0.105729  0.621655  1
  Zr  Zr239  1  0.036339  0.276704  0.643418  1
  Zr  Zr240  1  0.953180  0.409171  0.655678  1
  Zr  Zr241  1  0.391671  0.272396  0.621655  1
  Zr  Zr242  1  0.369672  0.443371  0.643418  1
  Zr  Zr243  1  0.286514  0.575838  0.655678  1
  Zr  Zr244  1  0.725005  0.939063  0.621655  1
  Zr  Zr245  1  0.703006  0.110038  0.643418  1
  Zr  Zr246  1  0.619847  0.242505  0.655678  1
  Zr  Zr247  1  0.036339  0.776704  0.643418  1
  Zr  Zr248  1  0.953180  0.909171  0.655678  1
  Zr  Zr249  1  0.391671  0.772396  0.621655  1
  Zr  Zr250  1  0.369672  0.943371  0.643418  1
  Zr  Zr251  1  0.286514  0.075838  0.655678  1
  Zr  Zr252  1  0.619847  0.742505  0.655678  1
  Zr  Zr253  1  -0.003174  0.466627  0.710527  1
  Zr  Zr254  1  0.663493  0.299960  0.710527  1
  Zr  Zr255  1  0.767407  0.499011  0.678218  1
  Zr  Zr256  1  -0.003174  0.966627  0.710527  1
  Zr  Zr257  1  0.100740  0.165678  0.678218  1
  Zr  Zr258  1  0.077738  0.333409  0.699936  1
  Zr  Zr259  1  0.330160  0.133293  0.710527  1
  Zr  Zr260  1  0.434074  0.332344  0.678218  1
  Zr  Zr261  1  0.411072  0.500076  0.699936  1
  Zr  Zr262  1  0.663493  0.799960  0.710527  1
  Zr  Zr263  1  0.767407  0.999011  0.678218  1
  Zr  Zr264  1  0.744405  0.166743  0.699936  1
  Zr  Zr265  1  0.100740  0.665678  0.678218  1
  Zr  Zr266  1  0.077738  0.833409  0.699936  1
  Zr  Zr267  1  0.330160  0.633293  0.710527  1
  Zr  Zr268  1  0.434074  0.832344  0.678218  1
  Zr  Zr269  1  0.411072  1.000076  0.699936  1
  Zr  Zr270  1  0.744405  0.666743  0.699936  1
  Zr  Zr271  1  0.934074  0.582344  0.678218  1
  Zr  Zr272  1  0.600740  0.415678  0.678218  1
  Zr  Zr273  1  0.577738  0.583409  0.699936  1
  Zr  Zr274  1  0.934074  0.082344  0.678218  1
  Zr  Zr275  1  0.911072  0.250076  0.699936  1
  Zr  Zr276  1  0.830160  0.383293  0.710527  1
  Zr  Zr277  1  0.267407  0.249011  0.678218  1
  Zr  Zr278  1  0.244405  0.416743  0.699936  1
  Zr  Zr279  1  0.163493  0.549960  0.710527  1
  Zr  Zr280  1  0.600740  0.915678  0.678218  1
  Zr  Zr281  1  0.577738  0.083409  0.699936  1
  Zr  Zr282  1  0.496826  0.216627  0.710527  1
  Zr  Zr283  1  0.911072  0.750076  0.699936  1
  Zr  Zr284  1  0.830160  0.883293  0.710527  1
  Zr  Zr285  1  0.267407  0.749011  0.678218  1
  Zr  Zr286  1  0.244405  0.916743  0.699936  1
  Zr  Zr287  1  0.163493  0.049960  0.710527  1
  Zr  Zr288  1  0.496826  0.716627  0.710527  1
