# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.67186333
_cell_length_b   16.03480576
_cell_length_c   16.03480576
_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   5829.27604015
_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  -0.005687  0.157526  0.354411  1
  Zr  Zr2  1  -0.005687  0.157526  0.557108  1
  Zr  Zr3  1  -0.005687  0.157526  0.757943  1
  Zr  Zr4  1  -0.005687  0.157526  0.960640  1
  Zr  Zr5  1  -0.005687  0.354411  0.157526  1
  Zr  Zr6  1  -0.005687  0.357809  0.357809  1
  Zr  Zr7  1  -0.005687  0.357484  0.557520  1
  Zr  Zr8  1  -0.005687  0.357484  0.757532  1
  Zr  Zr9  1  -0.005687  0.357809  0.957243  1
  Zr  Zr10  1  -0.005687  0.557108  0.157526  1
  Zr  Zr11  1  -0.005687  0.557520  0.357484  1
  Zr  Zr12  1  -0.005687  0.557567  0.557567  1
  Zr  Zr13  1  -0.005687  0.557567  0.757485  1
  Zr  Zr14  1  -0.005687  0.557520  0.957568  1
  Zr  Zr15  1  -0.005687  0.757943  0.157526  1
  Zr  Zr16  1  -0.005687  0.757532  0.357484  1
  Zr  Zr17  1  -0.005687  0.757485  0.557567  1
  Zr  Zr18  1  -0.005687  0.757485  0.757485  1
  Zr  Zr19  1  -0.005687  0.757532  0.957568  1
  Zr  Zr20  1  -0.005687  0.960640  0.157526  1
  Zr  Zr21  1  -0.005687  0.957243  0.357809  1
  Zr  Zr22  1  -0.005687  0.957568  0.557520  1
  Zr  Zr23  1  -0.005687  0.957568  0.757532  1
  Zr  Zr24  1  -0.005687  0.957243  0.957243  1
  Zr  Zr25  1  0.194440  0.157526  0.157526  1
  Zr  Zr26  1  0.193355  0.157526  0.356568  1
  Zr  Zr27  1  0.193775  0.157526  0.557155  1
  Zr  Zr28  1  0.193775  0.157526  0.757897  1
  Zr  Zr29  1  0.193355  0.157526  0.958484  1
  Zr  Zr30  1  0.193355  0.356568  0.157526  1
  Zr  Zr31  1  0.193771  0.357138  0.357138  1
  Zr  Zr32  1  0.193924  0.357285  0.557307  1
  Zr  Zr33  1  0.193924  0.357285  0.757745  1
  Zr  Zr34  1  0.193771  0.357138  0.957914  1
  Zr  Zr35  1  0.193775  0.557155  0.157526  1
  Zr  Zr36  1  0.193924  0.557307  0.357285  1
  Zr  Zr37  1  0.194232  0.557478  0.557478  1
  Zr  Zr38  1  0.194232  0.557478  0.757573  1
  Zr  Zr39  1  0.193924  0.557307  0.957767  1
  Zr  Zr40  1  0.193775  0.757897  0.157526  1
  Zr  Zr41  1  0.193924  0.757745  0.357285  1
  Zr  Zr42  1  0.194232  0.757573  0.557478  1
  Zr  Zr43  1  0.194232  0.757573  0.757573  1
  Zr  Zr44  1  0.193924  0.757745  0.957767  1
  Zr  Zr45  1  0.193355  0.958484  0.157526  1
  Zr  Zr46  1  0.193771  0.957914  0.357138  1
  Zr  Zr47  1  0.193924  0.957767  0.557307  1
  Zr  Zr48  1  0.193924  0.957767  0.757745  1
  Zr  Zr49  1  0.193771  0.957914  0.957914  1
  Zr  Zr50  1  0.394307  0.157526  0.157526  1
  Zr  Zr51  1  0.394223  0.157526  0.357561  1
  Zr  Zr52  1  0.394085  0.157526  0.557517  1
  Zr  Zr53  1  0.394085  0.157526  0.757535  1
  Zr  Zr54  1  0.394223  0.157526  0.957490  1
  Zr  Zr55  1  0.394223  0.357561  0.157526  1
  Zr  Zr56  1  0.394189  0.357537  0.357537  1
  Zr  Zr57  1  0.394095  0.357431  0.557498  1
  Zr  Zr58  1  0.394095  0.357431  0.757553  1
  Zr  Zr59  1  0.394189  0.357537  0.957515  1
  Zr  Zr60  1  0.394085  0.557517  0.157526  1
  Zr  Zr61  1  0.394095  0.557498  0.357431  1
  Zr  Zr62  1  0.394156  0.557466  0.557466  1
  Zr  Zr63  1  0.394156  0.557466  0.757586  1
  Zr  Zr64  1  0.394095  0.557498  0.957620  1
  Zr  Zr65  1  0.394085  0.757535  0.157526  1
  Zr  Zr66  1  0.394095  0.757553  0.357431  1
  Zr  Zr67  1  0.394156  0.757586  0.557466  1
  Zr  Zr68  1  0.394156  0.757586  0.757586  1
  Zr  Zr69  1  0.394095  0.757553  0.957620  1
  Zr  Zr70  1  0.394223  0.957490  0.157526  1
  Zr  Zr71  1  0.394189  0.957515  0.357537  1
  Zr  Zr72  1  0.394095  0.957620  0.557498  1
  Zr  Zr73  1  0.394095  0.957620  0.757553  1
  Zr  Zr74  1  0.394189  0.957515  0.957515  1
  Zr  Zr75  1  0.594320  0.157526  0.157526  1
  Zr  Zr76  1  0.594404  0.157526  0.357561  1
  Zr  Zr77  1  0.594542  0.157526  0.557517  1
  Zr  Zr78  1  0.594542  0.157526  0.757535  1
  Zr  Zr79  1  0.594404  0.157526  0.957490  1
  Zr  Zr80  1  0.594404  0.357561  0.157526  1
  Zr  Zr81  1  0.594438  0.357537  0.357537  1
  Zr  Zr82  1  0.594532  0.357431  0.557498  1
  Zr  Zr83  1  0.594532  0.357431  0.757553  1
  Zr  Zr84  1  0.594438  0.357537  0.957515  1
  Zr  Zr85  1  0.594542  0.557517  0.157526  1
  Zr  Zr86  1  0.594532  0.557498  0.357431  1
  Zr  Zr87  1  0.594470  0.557466  0.557466  1
  Zr  Zr88  1  0.594470  0.557466  0.757586  1
  Zr  Zr89  1  0.594532  0.557498  0.957620  1
  Zr  Zr90  1  0.594542  0.757535  0.157526  1
  Zr  Zr91  1  0.594532  0.757553  0.357431  1
  Zr  Zr92  1  0.594470  0.757586  0.557466  1
  Zr  Zr93  1  0.594470  0.757586  0.757586  1
  Zr  Zr94  1  0.594532  0.757553  0.957620  1
  Zr  Zr95  1  0.594404  0.957490  0.157526  1
  Zr  Zr96  1  0.594438  0.957515  0.357537  1
  Zr  Zr97  1  0.594532  0.957620  0.557498  1
  Zr  Zr98  1  0.594532  0.957620  0.757553  1
  Zr  Zr99  1  0.594438  0.957515  0.957515  1
  Zr  Zr100  1  0.794187  0.157526  0.157526  1
  Zr  Zr101  1  0.795271  0.157526  0.356568  1
  Zr  Zr102  1  0.794852  0.157526  0.557155  1
  Zr  Zr103  1  0.794852  0.157526  0.757897  1
  Zr  Zr104  1  0.795271  0.157526  0.958484  1
  Zr  Zr105  1  0.795271  0.356568  0.157526  1
  Zr  Zr106  1  0.794855  0.357138  0.357138  1
  Zr  Zr107  1  0.794702  0.357285  0.557307  1
  Zr  Zr108  1  0.794702  0.357285  0.757745  1
  Zr  Zr109  1  0.794855  0.357138  0.957914  1
  Zr  Zr110  1  0.794852  0.557155  0.157526  1
  Zr  Zr111  1  0.794702  0.557307  0.357285  1
  Zr  Zr112  1  0.794395  0.557478  0.557478  1
  Zr  Zr113  1  0.794395  0.557478  0.757573  1
  Zr  Zr114  1  0.794702  0.557307  0.957767  1
  Zr  Zr115  1  0.794852  0.757897  0.157526  1
  Zr  Zr116  1  0.794702  0.757745  0.357285  1
  Zr  Zr117  1  0.794395  0.757573  0.557478  1
  Zr  Zr118  1  0.794395  0.757573  0.757573  1
  Zr  Zr119  1  0.794702  0.757745  0.957767  1
  Zr  Zr120  1  0.795271  0.958484  0.157526  1
  Zr  Zr121  1  0.794855  0.957914  0.357138  1
  Zr  Zr122  1  0.794702  0.957767  0.557307  1
  Zr  Zr123  1  0.794702  0.957767  0.757745  1
  Zr  Zr124  1  0.794855  0.957914  0.957914  1
  Zr  Zr125  1  -0.103929  0.059155  0.059155  1
  Zr  Zr126  1  -0.103929  0.059155  0.255896  1
  Zr  Zr127  1  -0.105085  0.057842  0.456380  1
  Zr  Zr128  1  -0.105442  0.057607  0.657526  1
  Zr  Zr129  1  -0.105085  0.057842  0.858672  1
  Zr  Zr130  1  -0.103929  0.255896  0.059155  1
  Zr  Zr131  1  -0.103929  0.255896  0.255896  1
  Zr  Zr132  1  -0.105085  0.257209  0.456380  1
  Zr  Zr133  1  -0.105442  0.257444  0.657526  1
  Zr  Zr134  1  -0.105085  0.257209  0.858672  1
  Zr  Zr135  1  -0.105085  0.456380  0.057842  1
  Zr  Zr136  1  -0.105085  0.456380  0.257209  1
  Zr  Zr137  1  -0.105617  0.457478  0.457478  1
  Zr  Zr138  1  -0.105628  0.457516  0.657526  1
  Zr  Zr139  1  -0.105617  0.457478  0.857574  1
  Zr  Zr140  1  -0.105442  0.657526  0.057607  1
  Zr  Zr141  1  -0.105442  0.657526  0.257444  1
  Zr  Zr142  1  -0.105628  0.657526  0.457516  1
  Zr  Zr143  1  0.894310  0.657526  0.657526  1
  Zr  Zr144  1  -0.105628  0.657526  0.857535  1
  Zr  Zr145  1  -0.105085  0.858672  0.057842  1
  Zr  Zr146  1  -0.105085  0.858672  0.257209  1
  Zr  Zr147  1  -0.105617  0.857574  0.457478  1
  Zr  Zr148  1  -0.105628  0.857535  0.657526  1
  Zr  Zr149  1  -0.105617  0.857574  0.857574  1
  Zr  Zr150  1  0.092555  0.059155  0.059155  1
  Zr  Zr151  1  0.092555  0.059155  0.255896  1
  Zr  Zr152  1  0.093712  0.057842  0.456380  1
  Zr  Zr153  1  0.094069  0.057607  0.657526  1
  Zr  Zr154  1  0.093712  0.057842  0.858672  1
  Zr  Zr155  1  0.092555  0.255896  0.059155  1
  Zr  Zr156  1  0.092555  0.255896  0.255896  1
  Zr  Zr157  1  0.093712  0.257209  0.456380  1
  Zr  Zr158  1  0.094069  0.257444  0.657526  1
  Zr  Zr159  1  0.093712  0.257209  0.858672  1
  Zr  Zr160  1  0.093712  0.456380  0.057842  1
  Zr  Zr161  1  0.093712  0.456380  0.257209  1
  Zr  Zr162  1  0.094244  0.457478  0.457478  1
  Zr  Zr163  1  0.094255  0.457516  0.657526  1
  Zr  Zr164  1  0.094244  0.457478  0.857574  1
  Zr  Zr165  1  0.094069  0.657526  0.057607  1
  Zr  Zr166  1  0.094069  0.657526  0.257444  1
  Zr  Zr167  1  0.094255  0.657526  0.457516  1
  Zr  Zr168  1  0.094316  0.657526  0.657526  1
  Zr  Zr169  1  0.094255  0.657526  0.857535  1
  Zr  Zr170  1  0.093712  0.858672  0.057842  1
  Zr  Zr171  1  0.093712  0.858672  0.257209  1
  Zr  Zr172  1  0.094244  0.857574  0.457478  1
  Zr  Zr173  1  0.094255  0.857535  0.657526  1
  Zr  Zr174  1  0.094244  0.857574  0.857574  1
  Zr  Zr175  1  0.294151  0.057528  0.057528  1
  Zr  Zr176  1  0.294151  0.057528  0.257524  1
  Zr  Zr177  1  0.293878  0.057685  0.457295  1
  Zr  Zr178  1  0.293901  0.057645  0.657526  1
  Zr  Zr179  1  0.293878  0.057685  0.857757  1
  Zr  Zr180  1  0.294151  0.257524  0.057528  1
  Zr  Zr181  1  0.294151  0.257524  0.257524  1
  Zr  Zr182  1  0.293878  0.257366  0.457295  1
  Zr  Zr183  1  0.293901  0.257407  0.657526  1
  Zr  Zr184  1  0.293878  0.257366  0.857757  1
  Zr  Zr185  1  0.293878  0.457295  0.057685  1
  Zr  Zr186  1  0.293878  0.457295  0.257366  1
  Zr  Zr187  1  0.293989  0.457349  0.457349  1
  Zr  Zr188  1  0.294055  0.457343  0.657526  1
  Zr  Zr189  1  0.293989  0.457349  0.857703  1
  Zr  Zr190  1  0.293901  0.657526  0.057645  1
  Zr  Zr191  1  0.293901  0.657526  0.257407  1
  Zr  Zr192  1  0.294055  0.657526  0.457343  1
  Zr  Zr193  1  0.294215  0.657526  0.657526  1
  Zr  Zr194  1  0.294055  0.657526  0.857708  1
  Zr  Zr195  1  0.293878  0.857757  0.057685  1
  Zr  Zr196  1  0.293878  0.857757  0.257366  1
  Zr  Zr197  1  0.293989  0.857703  0.457349  1
  Zr  Zr198  1  0.294055  0.857708  0.657526  1
  Zr  Zr199  1  0.293989  0.857703  0.857703  1
  Zr  Zr200  1  0.494313  1.057486  1.057486  1
  Zr  Zr201  1  0.494313  1.057486  0.257566  1
  Zr  Zr202  1  0.494313  1.057522  0.457594  1
  Zr  Zr203  1  0.494313  0.057556  0.657526  1
  Zr  Zr204  1  0.494313  1.057522  0.857458  1
  Zr  Zr205  1  0.494313  0.257566  1.057486  1
  Zr  Zr206  1  0.494313  0.257566  0.257566  1
  Zr  Zr207  1  0.494313  0.257529  0.457594  1
  Zr  Zr208  1  0.494313  0.257496  0.657526  1
  Zr  Zr209  1  0.494313  0.257529  0.857458  1
  Zr  Zr210  1  0.494313  0.457594  1.057522  1
  Zr  Zr211  1  0.494313  0.457594  0.257529  1
  Zr  Zr212  1  0.494313  0.457532  0.457532  1
  Zr  Zr213  1  0.494313  0.457459  0.657526  1
  Zr  Zr214  1  0.494313  0.457532  0.857520  1
  Zr  Zr215  1  0.494313  0.657526  0.057556  1
  Zr  Zr216  1  0.494313  0.657526  0.257496  1
  Zr  Zr217  1  0.494313  0.657526  0.457459  1
  Zr  Zr218  1  0.494313  0.657526  0.657526  1
  Zr  Zr219  1  0.494313  0.657526  0.857592  1
  Zr  Zr220  1  0.494313  0.857458  1.057522  1
  Zr  Zr221  1  0.494313  0.857458  0.257529  1
  Zr  Zr222  1  0.494313  0.857520  0.457532  1
  Zr  Zr223  1  0.494313  0.857592  0.657526  1
  Zr  Zr224  1  0.494313  0.857520  0.857520  1
  Zr  Zr225  1  0.694476  0.057528  0.057528  1
  Zr  Zr226  1  0.694476  0.057528  0.257524  1
  Zr  Zr227  1  0.694748  0.057685  0.457295  1
  Zr  Zr228  1  0.694726  0.057645  0.657526  1
  Zr  Zr229  1  0.694748  0.057685  0.857757  1
  Zr  Zr230  1  0.694476  0.257524  0.057528  1
  Zr  Zr231  1  0.694476  0.257524  0.257524  1
  Zr  Zr232  1  0.694748  0.257366  0.457295  1
  Zr  Zr233  1  0.694726  0.257407  0.657526  1
  Zr  Zr234  1  0.694748  0.257366  0.857757  1
  Zr  Zr235  1  0.694748  0.457295  0.057685  1
  Zr  Zr236  1  0.694748  0.457295  0.257366  1
  Zr  Zr237  1  0.694638  0.457349  0.457349  1
  Zr  Zr238  1  0.694572  0.457343  0.657526  1
  Zr  Zr239  1  0.694638  0.457349  0.857703  1
  Zr  Zr240  1  0.694726  0.657526  0.057645  1
  Zr  Zr241  1  0.694726  0.657526  0.257407  1
  Zr  Zr242  1  0.694572  0.657526  0.457343  1
  Zr  Zr243  1  0.694411  0.657526  0.657526  1
  Zr  Zr244  1  0.694572  0.657526  0.857708  1
  Zr  Zr245  1  0.694748  0.857757  0.057685  1
  Zr  Zr246  1  0.694748  0.857757  0.257366  1
  Zr  Zr247  1  0.694638  0.857703  0.457349  1
  Zr  Zr248  1  0.694572  0.857708  0.657526  1
  Zr  Zr249  1  0.694638  0.857703  0.857703  1
