# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.94121348
_cell_length_b   17.94121372
_cell_length_c   17.93037289
_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   5771.55654291
_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  0.100199  0.100199  0.306367  1
  Zr  Zr2  1  0.100199  0.100199  0.501031  1
  Zr  Zr3  1  0.100199  0.100199  0.699972  1
  Zr  Zr4  1  0.100199  0.100199  0.894636  1
  Zr  Zr5  1  0.100199  0.306031  0.100501  1
  Zr  Zr6  1  0.100199  0.297925  0.298229  1
  Zr  Zr7  1  0.100199  0.300733  0.500776  1
  Zr  Zr8  1  0.100199  0.300733  0.700227  1
  Zr  Zr9  1  0.100199  0.297925  0.902774  1
  Zr  Zr10  1  0.100199  0.500718  0.100501  1
  Zr  Zr11  1  0.100199  0.500470  0.301033  1
  Zr  Zr12  1  0.100199  0.499524  0.499826  1
  Zr  Zr13  1  0.100199  0.499524  0.701177  1
  Zr  Zr14  1  0.100199  0.500470  0.899969  1
  Zr  Zr15  1  0.100199  0.699680  0.100501  1
  Zr  Zr16  1  0.100199  0.699928  0.301033  1
  Zr  Zr17  1  0.100199  0.700874  0.499826  1
  Zr  Zr18  1  0.100199  0.700874  0.701177  1
  Zr  Zr19  1  0.100199  0.699928  0.899969  1
  Zr  Zr20  1  0.100199  0.894367  0.100501  1
  Zr  Zr21  1  0.100199  0.902473  0.298229  1
  Zr  Zr22  1  0.100199  0.899665  0.500776  1
  Zr  Zr23  1  0.100199  0.899665  0.700227  1
  Zr  Zr24  1  0.100199  0.902473  0.902774  1
  Zr  Zr25  1  0.306031  0.100199  0.100501  1
  Zr  Zr26  1  0.297925  0.100199  0.298229  1
  Zr  Zr27  1  0.300733  0.100199  0.500776  1
  Zr  Zr28  1  0.300733  0.100199  0.700227  1
  Zr  Zr29  1  0.297925  0.100199  0.902774  1
  Zr  Zr30  1  0.297902  0.297902  0.100501  1
  Zr  Zr31  1  0.296460  0.296460  0.296766  1
  Zr  Zr32  1  0.300370  0.300370  0.501077  1
  Zr  Zr33  1  0.300370  0.300370  0.699925  1
  Zr  Zr34  1  0.296460  0.296460  0.904237  1
  Zr  Zr35  1  0.300727  0.500475  0.100501  1
  Zr  Zr36  1  0.300369  0.500775  0.300668  1
  Zr  Zr37  1  0.300214  0.499778  0.500077  1
  Zr  Zr38  1  0.300214  0.499778  0.700925  1
  Zr  Zr39  1  0.300369  0.500775  0.900335  1
  Zr  Zr40  1  0.300727  0.699923  0.100501  1
  Zr  Zr41  1  0.300369  0.699623  0.300668  1
  Zr  Zr42  1  0.300214  0.700620  0.500077  1
  Zr  Zr43  1  0.300214  0.700620  0.700925  1
  Zr  Zr44  1  0.300369  0.699623  0.900335  1
  Zr  Zr45  1  0.297902  0.902495  0.100501  1
  Zr  Zr46  1  0.296460  0.903938  0.296766  1
  Zr  Zr47  1  0.300370  0.900028  0.501077  1
  Zr  Zr48  1  0.300370  0.900028  0.699925  1
  Zr  Zr49  1  0.296460  0.903938  0.904237  1
  Zr  Zr50  1  0.500718  0.100199  0.100501  1
  Zr  Zr51  1  0.500470  0.100199  0.301033  1
  Zr  Zr52  1  0.499524  0.100199  0.499826  1
  Zr  Zr53  1  0.499524  0.100199  0.701177  1
  Zr  Zr54  1  0.500470  0.100199  0.899969  1
  Zr  Zr55  1  0.500475  0.300727  0.100501  1
  Zr  Zr56  1  0.500775  0.300369  0.300668  1
  Zr  Zr57  1  0.499778  0.300214  0.500077  1
  Zr  Zr58  1  0.499778  0.300214  0.700925  1
  Zr  Zr59  1  0.500775  0.300369  0.900335  1
  Zr  Zr60  1  0.499519  0.499519  0.100501  1
  Zr  Zr61  1  0.499770  0.499770  0.300506  1
  Zr  Zr62  1  0.499639  0.499639  0.499935  1
  Zr  Zr63  1  0.499639  0.499639  0.701068  1
  Zr  Zr64  1  0.499770  0.499770  0.900496  1
  Zr  Zr65  1  0.499519  0.700878  0.100501  1
  Zr  Zr66  1  0.499770  0.700628  0.300506  1
  Zr  Zr67  1  0.499639  0.700759  0.499935  1
  Zr  Zr68  1  0.499639  0.700759  0.701068  1
  Zr  Zr69  1  0.499770  0.700628  0.900496  1
  Zr  Zr70  1  0.500475  0.899671  0.100501  1
  Zr  Zr71  1  0.500775  0.900029  0.300668  1
  Zr  Zr72  1  0.499778  0.900184  0.500077  1
  Zr  Zr73  1  0.499778  0.900184  0.700925  1
  Zr  Zr74  1  0.500775  0.900029  0.900335  1
  Zr  Zr75  1  0.699680  0.100199  0.100501  1
  Zr  Zr76  1  0.699928  0.100199  0.301033  1
  Zr  Zr77  1  0.700874  0.100199  0.499826  1
  Zr  Zr78  1  0.700874  0.100199  0.701177  1
  Zr  Zr79  1  0.699928  0.100199  0.899969  1
  Zr  Zr80  1  0.699923  0.300727  0.100501  1
  Zr  Zr81  1  0.699623  0.300369  0.300668  1
  Zr  Zr82  1  0.700620  0.300214  0.500077  1
  Zr  Zr83  1  0.700620  0.300214  0.700925  1
  Zr  Zr84  1  0.699623  0.300369  0.900335  1
  Zr  Zr85  1  0.700878  0.499519  0.100501  1
  Zr  Zr86  1  0.700628  0.499770  0.300506  1
  Zr  Zr87  1  0.700759  0.499639  0.499935  1
  Zr  Zr88  1  0.700759  0.499639  0.701068  1
  Zr  Zr89  1  0.700628  0.499770  0.900496  1
  Zr  Zr90  1  0.700878  0.700878  0.100501  1
  Zr  Zr91  1  0.700628  0.700628  0.300506  1
  Zr  Zr92  1  0.700759  0.700759  0.499935  1
  Zr  Zr93  1  0.700759  0.700759  0.701068  1
  Zr  Zr94  1  0.700628  0.700628  0.900496  1
  Zr  Zr95  1  0.699923  0.899671  0.100501  1
  Zr  Zr96  1  0.699623  0.900029  0.300668  1
  Zr  Zr97  1  0.700620  0.900184  0.500077  1
  Zr  Zr98  1  0.700620  0.900184  0.700925  1
  Zr  Zr99  1  0.699623  0.900029  0.900335  1
  Zr  Zr100  1  0.894367  0.100199  0.100501  1
  Zr  Zr101  1  0.902473  0.100199  0.298229  1
  Zr  Zr102  1  0.899665  0.100199  0.500776  1
  Zr  Zr103  1  0.899665  0.100199  0.700227  1
  Zr  Zr104  1  0.902473  0.100199  0.902774  1
  Zr  Zr105  1  0.902495  0.297902  0.100501  1
  Zr  Zr106  1  0.903938  0.296460  0.296766  1
  Zr  Zr107  1  0.900028  0.300370  0.501077  1
  Zr  Zr108  1  0.900028  0.300370  0.699925  1
  Zr  Zr109  1  0.903938  0.296460  0.904237  1
  Zr  Zr110  1  0.899671  0.500475  0.100501  1
  Zr  Zr111  1  0.900029  0.500775  0.300668  1
  Zr  Zr112  1  0.900184  0.499778  0.500077  1
  Zr  Zr113  1  0.900184  0.499778  0.700925  1
  Zr  Zr114  1  0.900029  0.500775  0.900335  1
  Zr  Zr115  1  0.899671  0.699923  0.100501  1
  Zr  Zr116  1  0.900029  0.699623  0.300668  1
  Zr  Zr117  1  0.900184  0.700620  0.500077  1
  Zr  Zr118  1  0.900184  0.700620  0.700925  1
  Zr  Zr119  1  0.900029  0.699623  0.900335  1
  Zr  Zr120  1  0.902495  0.902495  0.100501  1
  Zr  Zr121  1  0.903938  0.903938  0.296766  1
  Zr  Zr122  1  0.900028  0.900028  0.501077  1
  Zr  Zr123  1  0.900028  0.900028  0.699925  1
  Zr  Zr124  1  0.903938  0.903938  0.904237  1
  Zr  Zr125  1  0.007516  0.007516  0.007797  1
  Zr  Zr126  1  0.007516  0.007516  0.193205  1
  Zr  Zr127  1  0.999752  0.999752  0.401965  1
  Zr  Zr128  1  1.000141  1.000141  0.600501  1
  Zr  Zr129  1  0.999752  0.999752  0.799038  1
  Zr  Zr130  1  0.007516  0.192882  0.007797  1
  Zr  Zr131  1  0.007516  0.192882  0.193205  1
  Zr  Zr132  1  0.999752  0.200646  0.401965  1
  Zr  Zr133  1  1.000141  0.200257  0.600501  1
  Zr  Zr134  1  0.999752  0.200646  0.799038  1
  Zr  Zr135  1  0.999753  0.401656  1.000056  1
  Zr  Zr136  1  0.999753  0.401656  0.200947  1
  Zr  Zr137  1  1.000025  0.398954  0.399256  1
  Zr  Zr138  1  1.000133  0.400601  0.600501  1
  Zr  Zr139  1  1.000025  0.398954  0.801747  1
  Zr  Zr140  1  1.000147  0.600199  1.000446  1
  Zr  Zr141  1  1.000147  0.600199  0.200557  1
  Zr  Zr142  1  1.000134  0.600199  0.400900  1
  Zr  Zr143  1  0.000462  0.600199  0.600501  1
  Zr  Zr144  1  1.000134  0.600199  0.800103  1
  Zr  Zr145  1  0.999753  0.798742  1.000056  1
  Zr  Zr146  1  0.999753  0.798742  0.200947  1
  Zr  Zr147  1  1.000025  0.801444  0.399256  1
  Zr  Zr148  1  1.000133  0.799797  0.600501  1
  Zr  Zr149  1  1.000025  0.801444  0.801747  1
  Zr  Zr150  1  0.192882  0.007516  0.007797  1
  Zr  Zr151  1  0.192882  0.007516  0.193205  1
  Zr  Zr152  1  0.200646  0.999752  0.401965  1
  Zr  Zr153  1  0.200257  1.000141  0.600501  1
  Zr  Zr154  1  0.200646  0.999752  0.799038  1
  Zr  Zr155  1  0.192882  0.192882  0.007797  1
  Zr  Zr156  1  0.192882  0.192882  0.193205  1
  Zr  Zr157  1  0.200646  0.200646  0.401965  1
  Zr  Zr158  1  0.200257  0.200257  0.600501  1
  Zr  Zr159  1  0.200646  0.200646  0.799038  1
  Zr  Zr160  1  0.200645  0.401656  1.000056  1
  Zr  Zr161  1  0.200645  0.401656  0.200947  1
  Zr  Zr162  1  0.200373  0.398954  0.399256  1
  Zr  Zr163  1  0.200265  0.400601  0.600501  1
  Zr  Zr164  1  0.200373  0.398954  0.801747  1
  Zr  Zr165  1  0.200251  0.600199  1.000446  1
  Zr  Zr166  1  0.200251  0.600199  0.200557  1
  Zr  Zr167  1  0.200263  0.600199  0.400900  1
  Zr  Zr168  1  0.199936  0.600199  0.600501  1
  Zr  Zr169  1  0.200263  0.600199  0.800103  1
  Zr  Zr170  1  0.200645  0.798742  1.000056  1
  Zr  Zr171  1  0.200645  0.798742  0.200947  1
  Zr  Zr172  1  0.200373  0.801444  0.399256  1
  Zr  Zr173  1  0.200265  0.799797  0.600501  1
  Zr  Zr174  1  0.200373  0.801444  0.801747  1
  Zr  Zr175  1  0.401656  0.999753  1.000056  1
  Zr  Zr176  1  0.401656  0.999753  0.200947  1
  Zr  Zr177  1  0.398954  1.000025  0.399256  1
  Zr  Zr178  1  0.400601  1.000133  0.600501  1
  Zr  Zr179  1  0.398954  1.000025  0.801747  1
  Zr  Zr180  1  0.401656  0.200645  1.000056  1
  Zr  Zr181  1  0.401656  0.200645  0.200947  1
  Zr  Zr182  1  0.398954  0.200373  0.399256  1
  Zr  Zr183  1  0.400601  0.200265  0.600501  1
  Zr  Zr184  1  0.398954  0.200373  0.801747  1
  Zr  Zr185  1  0.398942  0.398942  1.000338  1
  Zr  Zr186  1  0.398942  0.398942  0.200665  1
  Zr  Zr187  1  0.398462  0.398462  0.398763  1
  Zr  Zr188  1  0.400352  0.400352  0.600501  1
  Zr  Zr189  1  0.398462  0.398462  0.802240  1
  Zr  Zr190  1  0.400598  0.600199  1.000440  1
  Zr  Zr191  1  0.400598  0.600199  0.200562  1
  Zr  Zr192  1  0.400351  0.600199  0.400647  1
  Zr  Zr193  1  0.400098  0.600199  0.600501  1
  Zr  Zr194  1  0.400351  0.600199  0.800355  1
  Zr  Zr195  1  0.398942  0.801456  1.000338  1
  Zr  Zr196  1  0.398942  0.801456  0.200665  1
  Zr  Zr197  1  0.398462  0.801936  0.398763  1
  Zr  Zr198  1  0.400352  0.800046  0.600501  1
  Zr  Zr199  1  0.398462  0.801936  0.802240  1
  Zr  Zr200  1  0.600199  1.000147  1.000446  1
  Zr  Zr201  1  0.600199  1.000147  0.200557  1
  Zr  Zr202  1  0.600199  1.000134  0.400900  1
  Zr  Zr203  1  0.600199  0.000462  0.600501  1
  Zr  Zr204  1  0.600199  1.000134  0.800103  1
  Zr  Zr205  1  0.600199  0.200251  1.000446  1
  Zr  Zr206  1  0.600199  0.200251  0.200557  1
  Zr  Zr207  1  0.600199  0.200263  0.400900  1
  Zr  Zr208  1  0.600199  0.199936  0.600501  1
  Zr  Zr209  1  0.600199  0.200263  0.800103  1
  Zr  Zr210  1  0.600199  0.400598  1.000440  1
  Zr  Zr211  1  0.600199  0.400598  0.200562  1
  Zr  Zr212  1  0.600199  0.400351  0.400647  1
  Zr  Zr213  1  0.600199  0.400098  0.600501  1
  Zr  Zr214  1  0.600199  0.400351  0.800355  1
  Zr  Zr215  1  0.600199  0.600199  0.000767  1
  Zr  Zr216  1  0.600199  0.600199  0.200235  1
  Zr  Zr217  1  0.600199  0.600199  0.400382  1
  Zr  Zr218  1  0.600199  0.600199  0.600501  1
  Zr  Zr219  1  0.600199  0.600199  0.800620  1
  Zr  Zr220  1  0.600199  0.799800  1.000440  1
  Zr  Zr221  1  0.600199  0.799800  0.200562  1
  Zr  Zr222  1  0.600199  0.800047  0.400647  1
  Zr  Zr223  1  0.600199  0.800300  0.600501  1
  Zr  Zr224  1  0.600199  0.800047  0.800355  1
  Zr  Zr225  1  0.798742  0.999753  1.000056  1
  Zr  Zr226  1  0.798742  0.999753  0.200947  1
  Zr  Zr227  1  0.801444  1.000025  0.399256  1
  Zr  Zr228  1  0.799797  1.000133  0.600501  1
  Zr  Zr229  1  0.801444  1.000025  0.801747  1
  Zr  Zr230  1  0.798742  0.200645  1.000056  1
  Zr  Zr231  1  0.798742  0.200645  0.200947  1
  Zr  Zr232  1  0.801444  0.200373  0.399256  1
  Zr  Zr233  1  0.799797  0.200265  0.600501  1
  Zr  Zr234  1  0.801444  0.200373  0.801747  1
  Zr  Zr235  1  0.801456  0.398942  1.000338  1
  Zr  Zr236  1  0.801456  0.398942  0.200665  1
  Zr  Zr237  1  0.801936  0.398462  0.398763  1
  Zr  Zr238  1  0.800046  0.400352  0.600501  1
  Zr  Zr239  1  0.801936  0.398462  0.802240  1
  Zr  Zr240  1  0.799800  0.600199  1.000440  1
  Zr  Zr241  1  0.799800  0.600199  0.200562  1
  Zr  Zr242  1  0.800047  0.600199  0.400647  1
  Zr  Zr243  1  0.800300  0.600199  0.600501  1
  Zr  Zr244  1  0.800047  0.600199  0.800355  1
  Zr  Zr245  1  0.801456  0.801456  1.000338  1
  Zr  Zr246  1  0.801456  0.801456  0.200665  1
  Zr  Zr247  1  0.801936  0.801936  0.398763  1
  Zr  Zr248  1  0.800046  0.800046  0.600501  1
  Zr  Zr249  1  0.801936  0.801936  0.802240  1
