# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.22223539
_cell_length_b   18.22223539
_cell_length_c   18.22223539
_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   Zr255
_cell_volume   6050.69076238
_cell_formula_units_Z   255
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  1.000176  0.000176  0.374638  1
  Zr  Zr2  1  1.000176  1.000176  0.625176  1
  Zr  Zr3  1  1.000176  1.000176  0.875713  1
  Zr  Zr4  1  1.000176  0.249638  0.125176  1
  Zr  Zr5  1  1.000176  0.249927  0.374927  1
  Zr  Zr6  1  1.000176  0.250095  0.625176  1
  Zr  Zr7  1  1.000176  0.249927  0.875424  1
  Zr  Zr8  1  1.000176  0.500176  0.125176  1
  Zr  Zr9  1  1.000176  0.500176  0.375095  1
  Zr  Zr10  1  1.000176  0.500176  0.625176  1
  Zr  Zr11  1  1.000176  0.500176  0.875256  1
  Zr  Zr12  1  1.000176  0.750713  0.125176  1
  Zr  Zr13  1  1.000176  0.750424  0.374927  1
  Zr  Zr14  1  1.000176  0.750256  0.625176  1
  Zr  Zr15  1  1.000176  0.750424  0.875424  1
  Zr  Zr16  1  0.249638  0.000176  0.125176  1
  Zr  Zr17  1  0.249927  0.000176  0.374927  1
  Zr  Zr18  1  0.250095  1.000176  0.625176  1
  Zr  Zr19  1  0.249927  1.000176  0.875424  1
  Zr  Zr20  1  0.249927  0.249927  0.125176  1
  Zr  Zr21  1  0.249931  0.249931  0.374931  1
  Zr  Zr22  1  0.250075  0.250075  0.625176  1
  Zr  Zr23  1  0.249931  0.249931  0.875420  1
  Zr  Zr24  1  0.250095  0.500176  0.125176  1
  Zr  Zr25  1  0.250075  0.500176  0.375075  1
  Zr  Zr26  1  0.250109  0.500176  0.625176  1
  Zr  Zr27  1  0.250075  0.500176  0.875276  1
  Zr  Zr28  1  0.249927  0.750424  0.125176  1
  Zr  Zr29  1  0.249931  0.750420  0.374931  1
  Zr  Zr30  1  0.250075  0.750276  0.625176  1
  Zr  Zr31  1  0.249931  0.750420  0.875420  1
  Zr  Zr32  1  0.500176  0.000176  0.125176  1
  Zr  Zr33  1  0.500176  0.000176  0.375095  1
  Zr  Zr34  1  0.500176  1.000176  0.625176  1
  Zr  Zr35  1  0.500176  1.000176  0.875256  1
  Zr  Zr36  1  0.500176  0.250095  0.125176  1
  Zr  Zr37  1  0.500176  0.250075  0.375075  1
  Zr  Zr38  1  0.500176  0.250109  0.625176  1
  Zr  Zr39  1  0.500176  0.250075  0.875276  1
  Zr  Zr40  1  0.500176  0.500176  0.125176  1
  Zr  Zr41  1  0.500176  0.500176  0.375109  1
  Zr  Zr42  1  0.500176  0.500176  0.625176  1
  Zr  Zr43  1  0.500176  0.500176  0.875242  1
  Zr  Zr44  1  0.500176  0.750256  0.125176  1
  Zr  Zr45  1  0.500176  0.750276  0.375075  1
  Zr  Zr46  1  0.500176  0.750242  0.625176  1
  Zr  Zr47  1  0.500176  0.750276  0.875276  1
  Zr  Zr48  1  0.750713  0.000176  0.125176  1
  Zr  Zr49  1  0.750424  0.000176  0.374927  1
  Zr  Zr50  1  0.750256  1.000176  0.625176  1
  Zr  Zr51  1  0.750424  1.000176  0.875424  1
  Zr  Zr52  1  0.750424  0.249927  0.125176  1
  Zr  Zr53  1  0.750420  0.249931  0.374931  1
  Zr  Zr54  1  0.750276  0.250075  0.625176  1
  Zr  Zr55  1  0.750420  0.249931  0.875420  1
  Zr  Zr56  1  0.750256  0.500176  0.125176  1
  Zr  Zr57  1  0.750276  0.500176  0.375075  1
  Zr  Zr58  1  0.750242  0.500176  0.625176  1
  Zr  Zr59  1  0.750276  0.500176  0.875276  1
  Zr  Zr60  1  0.750424  0.750424  0.125176  1
  Zr  Zr61  1  0.750420  0.750420  0.374931  1
  Zr  Zr62  1  0.750276  0.750276  0.625176  1
  Zr  Zr63  1  0.750420  0.750420  0.875420  1
  Zr  Zr64  1  1.000176  0.123553  0.001798  1
  Zr  Zr65  1  1.000176  0.123553  0.248553  1
  Zr  Zr66  1  1.000176  0.125071  0.500052  1
  Zr  Zr67  1  1.000176  0.125071  0.750299  1
  Zr  Zr68  1  1.000176  0.375052  0.000280  1
  Zr  Zr69  1  1.000176  0.375052  0.250071  1
  Zr  Zr70  1  1.000176  0.375092  0.500092  1
  Zr  Zr71  1  1.000176  0.375092  0.750260  1
  Zr  Zr72  1  1.000176  0.625299  0.000280  1
  Zr  Zr73  1  1.000176  0.625299  0.250071  1
  Zr  Zr74  1  1.000176  0.625260  0.500092  1
  Zr  Zr75  1  1.000176  0.625260  0.750260  1
  Zr  Zr76  1  1.000176  0.876798  0.001798  1
  Zr  Zr77  1  1.000176  0.876798  0.248553  1
  Zr  Zr78  1  1.000176  0.875280  0.500052  1
  Zr  Zr79  1  1.000176  0.875280  0.750299  1
  Zr  Zr80  1  0.249670  0.124865  0.000486  1
  Zr  Zr81  1  0.249670  0.124865  0.249865  1
  Zr  Zr82  1  0.250008  0.125079  0.500004  1
  Zr  Zr83  1  0.250008  0.125079  0.750347  1
  Zr  Zr84  1  0.250008  0.375004  0.000272  1
  Zr  Zr85  1  0.250008  0.375004  0.250079  1
  Zr  Zr86  1  0.250075  0.375072  0.500072  1
  Zr  Zr87  1  0.250075  0.375072  0.750279  1
  Zr  Zr88  1  0.250008  0.625347  0.000272  1
  Zr  Zr89  1  0.250008  0.625347  0.250079  1
  Zr  Zr90  1  0.250075  0.625279  0.500072  1
  Zr  Zr91  1  0.250075  0.625279  0.750279  1
  Zr  Zr92  1  0.249670  0.875486  0.000486  1
  Zr  Zr93  1  0.249670  0.875486  0.249865  1
  Zr  Zr94  1  0.250008  0.875272  0.500004  1
  Zr  Zr95  1  0.250008  0.875272  0.750347  1
  Zr  Zr96  1  0.500176  0.125126  0.000225  1
  Zr  Zr97  1  0.500176  0.125126  0.250126  1
  Zr  Zr98  1  0.500176  0.125137  0.500094  1
  Zr  Zr99  1  0.500176  0.125137  0.750257  1
  Zr  Zr100  1  0.500176  0.375094  0.000214  1
  Zr  Zr101  1  0.500176  0.375094  0.250137  1
  Zr  Zr102  1  0.500176  0.375110  0.500110  1
  Zr  Zr103  1  0.500176  0.375110  0.750241  1
  Zr  Zr104  1  0.500176  0.625257  0.000214  1
  Zr  Zr105  1  0.500176  0.625257  0.250137  1
  Zr  Zr106  1  0.500176  0.625241  0.500110  1
  Zr  Zr107  1  0.500176  0.625241  0.750241  1
  Zr  Zr108  1  0.500176  0.875225  0.000225  1
  Zr  Zr109  1  0.500176  0.875225  0.250126  1
  Zr  Zr110  1  0.500176  0.875214  0.500094  1
  Zr  Zr111  1  0.500176  0.875214  0.750257  1
  Zr  Zr112  1  0.750681  0.124865  0.000486  1
  Zr  Zr113  1  0.750681  0.124865  0.249865  1
  Zr  Zr114  1  0.750343  0.125079  0.500004  1
  Zr  Zr115  1  0.750343  0.125079  0.750347  1
  Zr  Zr116  1  0.750343  0.375004  0.000272  1
  Zr  Zr117  1  0.750343  0.375004  0.250079  1
  Zr  Zr118  1  0.750276  0.375072  0.500072  1
  Zr  Zr119  1  0.750276  0.375072  0.750279  1
  Zr  Zr120  1  0.750343  0.625347  0.000272  1
  Zr  Zr121  1  0.750343  0.625347  0.250079  1
  Zr  Zr122  1  0.750276  0.625279  0.500072  1
  Zr  Zr123  1  0.750276  0.625279  0.750279  1
  Zr  Zr124  1  0.750681  0.875486  0.000486  1
  Zr  Zr125  1  0.750681  0.875486  0.249865  1
  Zr  Zr126  1  0.750343  0.875272  0.500004  1
  Zr  Zr127  1  0.750343  0.875272  0.750347  1
  Zr  Zr128  1  0.123553  1.000176  0.001798  1
  Zr  Zr129  1  0.123553  0.000176  0.248553  1
  Zr  Zr130  1  0.125071  1.000176  0.500052  1
  Zr  Zr131  1  0.125071  1.000176  0.750299  1
  Zr  Zr132  1  0.124865  0.249670  0.000486  1
  Zr  Zr133  1  0.124865  0.249670  0.249865  1
  Zr  Zr134  1  0.125079  0.250008  0.500004  1
  Zr  Zr135  1  0.125079  0.250008  0.750347  1
  Zr  Zr136  1  0.125126  0.500176  0.000225  1
  Zr  Zr137  1  0.125126  0.500176  0.250126  1
  Zr  Zr138  1  0.125137  0.500176  0.500094  1
  Zr  Zr139  1  0.125137  0.500176  0.750257  1
  Zr  Zr140  1  0.124865  0.750681  0.000486  1
  Zr  Zr141  1  0.124865  0.750681  0.249865  1
  Zr  Zr142  1  0.125079  0.750343  0.500004  1
  Zr  Zr143  1  0.125079  0.750343  0.750347  1
  Zr  Zr144  1  0.375052  0.000176  0.000280  1
  Zr  Zr145  1  0.375052  0.000176  0.250071  1
  Zr  Zr146  1  0.375092  0.000176  0.500092  1
  Zr  Zr147  1  0.375092  1.000176  0.750260  1
  Zr  Zr148  1  0.375004  0.250008  0.000272  1
  Zr  Zr149  1  0.375004  0.250008  0.250079  1
  Zr  Zr150  1  0.375072  0.250075  0.500072  1
  Zr  Zr151  1  0.375072  0.250075  0.750279  1
  Zr  Zr152  1  0.375094  0.500176  0.000214  1
  Zr  Zr153  1  0.375094  0.500176  0.250137  1
  Zr  Zr154  1  0.375110  0.500176  0.500110  1
  Zr  Zr155  1  0.375110  0.500176  0.750241  1
  Zr  Zr156  1  0.375004  0.750343  0.000272  1
  Zr  Zr157  1  0.375004  0.750343  0.250079  1
  Zr  Zr158  1  0.375072  0.750276  0.500072  1
  Zr  Zr159  1  0.375072  0.750276  0.750279  1
  Zr  Zr160  1  0.625299  0.000176  0.000280  1
  Zr  Zr161  1  0.625299  0.000176  0.250071  1
  Zr  Zr162  1  0.625260  0.000176  0.500092  1
  Zr  Zr163  1  0.625260  1.000176  0.750260  1
  Zr  Zr164  1  0.625347  0.250008  0.000272  1
  Zr  Zr165  1  0.625347  0.250008  0.250079  1
  Zr  Zr166  1  0.625279  0.250075  0.500072  1
  Zr  Zr167  1  0.625279  0.250075  0.750279  1
  Zr  Zr168  1  0.625257  0.500176  0.000214  1
  Zr  Zr169  1  0.625257  0.500176  0.250137  1
  Zr  Zr170  1  0.625241  0.500176  0.500110  1
  Zr  Zr171  1  0.625241  0.500176  0.750241  1
  Zr  Zr172  1  0.625347  0.750343  0.000272  1
  Zr  Zr173  1  0.625347  0.750343  0.250079  1
  Zr  Zr174  1  0.625279  0.750276  0.500072  1
  Zr  Zr175  1  0.625279  0.750276  0.750279  1
  Zr  Zr176  1  0.876798  0.000176  0.001798  1
  Zr  Zr177  1  0.876798  0.000176  0.248553  1
  Zr  Zr178  1  0.875280  1.000176  0.500052  1
  Zr  Zr179  1  0.875280  1.000176  0.750299  1
  Zr  Zr180  1  0.875486  0.249670  0.000486  1
  Zr  Zr181  1  0.875486  0.249670  0.249865  1
  Zr  Zr182  1  0.875272  0.250008  0.500004  1
  Zr  Zr183  1  0.875272  0.250008  0.750347  1
  Zr  Zr184  1  0.875225  0.500176  0.000225  1
  Zr  Zr185  1  0.875225  0.500176  0.250126  1
  Zr  Zr186  1  0.875214  0.500176  0.500094  1
  Zr  Zr187  1  0.875214  0.500176  0.750257  1
  Zr  Zr188  1  0.875486  0.750681  0.000486  1
  Zr  Zr189  1  0.875486  0.750681  0.249865  1
  Zr  Zr190  1  0.875272  0.750343  0.500004  1
  Zr  Zr191  1  0.875272  0.750343  0.750347  1
  Zr  Zr192  1  0.123553  0.123553  0.125176  1
  Zr  Zr193  1  0.124865  0.124865  0.374670  1
  Zr  Zr194  1  0.125126  0.125126  0.625176  1
  Zr  Zr195  1  0.124865  0.124865  0.875681  1
  Zr  Zr196  1  0.125071  0.375052  0.125176  1
  Zr  Zr197  1  0.125079  0.375004  0.375008  1
  Zr  Zr198  1  0.125137  0.375094  0.625176  1
  Zr  Zr199  1  0.125079  0.375004  0.875343  1
  Zr  Zr200  1  0.125071  0.625299  0.125176  1
  Zr  Zr201  1  0.125079  0.625347  0.375008  1
  Zr  Zr202  1  0.125137  0.625257  0.625176  1
  Zr  Zr203  1  0.125079  0.625347  0.875343  1
  Zr  Zr204  1  0.123553  0.876798  0.125176  1
  Zr  Zr205  1  0.124865  0.875486  0.374670  1
  Zr  Zr206  1  0.125126  0.875225  0.625176  1
  Zr  Zr207  1  0.124865  0.875486  0.875681  1
  Zr  Zr208  1  0.375052  0.125071  0.125176  1
  Zr  Zr209  1  0.375004  0.125079  0.375008  1
  Zr  Zr210  1  0.375094  0.125137  0.625176  1
  Zr  Zr211  1  0.375004  0.125079  0.875343  1
  Zr  Zr212  1  0.375092  0.375092  0.125176  1
  Zr  Zr213  1  0.375072  0.375072  0.375075  1
  Zr  Zr214  1  0.375110  0.375110  0.625176  1
  Zr  Zr215  1  0.375072  0.375072  0.875276  1
  Zr  Zr216  1  0.375092  0.625260  0.125176  1
  Zr  Zr217  1  0.375072  0.625279  0.375075  1
  Zr  Zr218  1  0.375110  0.625241  0.625176  1
  Zr  Zr219  1  0.375072  0.625279  0.875276  1
  Zr  Zr220  1  0.375052  0.875280  0.125176  1
  Zr  Zr221  1  0.375004  0.875272  0.375008  1
  Zr  Zr222  1  0.375094  0.875214  0.625176  1
  Zr  Zr223  1  0.375004  0.875272  0.875343  1
  Zr  Zr224  1  0.625299  0.125071  0.125176  1
  Zr  Zr225  1  0.625347  0.125079  0.375008  1
  Zr  Zr226  1  0.625257  0.125137  0.625176  1
  Zr  Zr227  1  0.625347  0.125079  0.875343  1
  Zr  Zr228  1  0.625260  0.375092  0.125176  1
  Zr  Zr229  1  0.625279  0.375072  0.375075  1
  Zr  Zr230  1  0.625241  0.375110  0.625176  1
  Zr  Zr231  1  0.625279  0.375072  0.875276  1
  Zr  Zr232  1  0.625260  0.625260  0.125176  1
  Zr  Zr233  1  0.625279  0.625279  0.375075  1
  Zr  Zr234  1  0.625241  0.625241  0.625176  1
  Zr  Zr235  1  0.625279  0.625279  0.875276  1
  Zr  Zr236  1  0.625299  0.875280  0.125176  1
  Zr  Zr237  1  0.625347  0.875272  0.375008  1
  Zr  Zr238  1  0.625257  0.875214  0.625176  1
  Zr  Zr239  1  0.625347  0.875272  0.875343  1
  Zr  Zr240  1  0.876798  0.123553  0.125176  1
  Zr  Zr241  1  0.875486  0.124865  0.374670  1
  Zr  Zr242  1  0.875225  0.125126  0.625176  1
  Zr  Zr243  1  0.875486  0.124865  0.875681  1
  Zr  Zr244  1  0.875280  0.375052  0.125176  1
  Zr  Zr245  1  0.875272  0.375004  0.375008  1
  Zr  Zr246  1  0.875214  0.375094  0.625176  1
  Zr  Zr247  1  0.875272  0.375004  0.875343  1
  Zr  Zr248  1  0.875280  0.625299  0.125176  1
  Zr  Zr249  1  0.875272  0.625347  0.375008  1
  Zr  Zr250  1  0.875214  0.625257  0.625176  1
  Zr  Zr251  1  0.875272  0.625347  0.875343  1
  Zr  Zr252  1  0.876798  0.876798  0.125176  1
  Zr  Zr253  1  0.875486  0.875486  0.374670  1
  Zr  Zr254  1  0.875225  0.875225  0.625176  1
  Zr  Zr255  1  0.875486  0.875486  0.875681  1
