# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.11487601
_cell_length_b   18.11279962
_cell_length_c   18.12066453
_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   5945.59152441
_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  0.125325  0.125382  0.375841  1
  Zr  Zr2  1  0.125325  0.125382  0.625165  1
  Zr  Zr3  1  0.125325  0.125382  0.874489  1
  Zr  Zr4  1  0.125325  0.376058  0.125165  1
  Zr  Zr5  1  0.125325  0.374742  0.374525  1
  Zr  Zr6  1  0.125325  0.375428  0.625165  1
  Zr  Zr7  1  0.125325  0.374742  0.875805  1
  Zr  Zr8  1  0.125325  0.625382  0.125165  1
  Zr  Zr9  1  0.125325  0.625382  0.375211  1
  Zr  Zr10  1  0.125325  0.625382  0.625165  1
  Zr  Zr11  1  0.125325  0.625382  0.875119  1
  Zr  Zr12  1  0.125325  0.874706  0.125165  1
  Zr  Zr13  1  0.125325  0.876022  0.374525  1
  Zr  Zr14  1  0.125325  0.875337  0.625165  1
  Zr  Zr15  1  0.125325  0.876022  0.875805  1
  Zr  Zr16  1  0.376001  0.125382  0.125165  1
  Zr  Zr17  1  0.374685  0.125382  0.374525  1
  Zr  Zr18  1  0.375370  0.125382  0.625165  1
  Zr  Zr19  1  0.374685  0.125382  0.875805  1
  Zr  Zr20  1  0.374685  0.374742  0.125165  1
  Zr  Zr21  1  0.375116  0.375173  0.374956  1
  Zr  Zr22  1  0.375287  0.375344  0.625165  1
  Zr  Zr23  1  0.375116  0.375173  0.875374  1
  Zr  Zr24  1  0.375370  0.625382  0.125165  1
  Zr  Zr25  1  0.375287  0.625382  0.375127  1
  Zr  Zr26  1  0.375318  0.625382  0.625165  1
  Zr  Zr27  1  0.375287  0.625382  0.875203  1
  Zr  Zr28  1  0.374685  0.876022  0.125165  1
  Zr  Zr29  1  0.375116  0.875591  0.374956  1
  Zr  Zr30  1  0.375287  0.875421  0.625165  1
  Zr  Zr31  1  0.375116  0.875591  0.875374  1
  Zr  Zr32  1  0.625325  0.125382  0.125165  1
  Zr  Zr33  1  0.625325  0.125382  0.375211  1
  Zr  Zr34  1  0.625325  0.125382  0.625165  1
  Zr  Zr35  1  0.625325  0.125382  0.875119  1
  Zr  Zr36  1  0.625325  0.375428  0.125165  1
  Zr  Zr37  1  0.625325  0.375344  0.375127  1
  Zr  Zr38  1  0.625325  0.375375  0.625165  1
  Zr  Zr39  1  0.625325  0.375344  0.875203  1
  Zr  Zr40  1  0.625325  0.625382  0.125165  1
  Zr  Zr41  1  0.625325  0.625382  0.375158  1
  Zr  Zr42  1  0.625325  0.625382  0.625165  1
  Zr  Zr43  1  0.625325  0.625382  0.875172  1
  Zr  Zr44  1  0.625325  0.875337  0.125165  1
  Zr  Zr45  1  0.625325  0.875421  0.375127  1
  Zr  Zr46  1  0.625325  0.875390  0.625165  1
  Zr  Zr47  1  0.625325  0.875421  0.875203  1
  Zr  Zr48  1  0.874649  0.125382  0.125165  1
  Zr  Zr49  1  0.875965  0.125382  0.374525  1
  Zr  Zr50  1  0.875279  0.125382  0.625165  1
  Zr  Zr51  1  0.875965  0.125382  0.875805  1
  Zr  Zr52  1  0.875965  0.374742  0.125165  1
  Zr  Zr53  1  0.875534  0.375173  0.374956  1
  Zr  Zr54  1  0.875363  0.375344  0.625165  1
  Zr  Zr55  1  0.875534  0.375173  0.875374  1
  Zr  Zr56  1  0.875279  0.625382  0.125165  1
  Zr  Zr57  1  0.875363  0.625382  0.375127  1
  Zr  Zr58  1  0.875332  0.625382  0.625165  1
  Zr  Zr59  1  0.875363  0.625382  0.875203  1
  Zr  Zr60  1  0.875965  0.876022  0.125165  1
  Zr  Zr61  1  0.875534  0.875591  0.374956  1
  Zr  Zr62  1  0.875363  0.875421  0.625165  1
  Zr  Zr63  1  0.875534  0.875591  0.875374  1
  Zr  Zr64  1  0.125325  0.002262  0.002044  1
  Zr  Zr65  1  0.125325  0.002262  0.248286  1
  Zr  Zr66  1  0.125325  1.000317  0.500180  1
  Zr  Zr67  1  0.125325  1.000317  0.750150  1
  Zr  Zr68  1  0.125325  0.248503  0.002044  1
  Zr  Zr69  1  0.125325  0.248503  0.248286  1
  Zr  Zr70  1  0.125325  0.250448  0.500180  1
  Zr  Zr71  1  0.125325  0.250448  0.750150  1
  Zr  Zr72  1  0.125325  0.500397  1.000100  1
  Zr  Zr73  1  0.125325  0.500397  0.250230  1
  Zr  Zr74  1  0.125325  0.500181  0.499964  1
  Zr  Zr75  1  0.125325  0.500181  0.750366  1
  Zr  Zr76  1  0.125325  0.750368  1.000100  1
  Zr  Zr77  1  0.125325  0.750368  0.250230  1
  Zr  Zr78  1  0.125325  0.750583  0.499964  1
  Zr  Zr79  1  0.125325  0.750583  0.750366  1
  Zr  Zr80  1  0.374822  0.000757  0.000541  1
  Zr  Zr81  1  0.374822  0.000757  0.249790  1
  Zr  Zr82  1  0.375184  0.000462  0.499930  1
  Zr  Zr83  1  0.375184  0.000462  0.750400  1
  Zr  Zr84  1  0.374822  0.250007  0.000541  1
  Zr  Zr85  1  0.374822  0.250007  0.249790  1
  Zr  Zr86  1  0.375184  0.250303  0.499930  1
  Zr  Zr87  1  0.375184  0.250303  0.750400  1
  Zr  Zr88  1  0.375184  0.500148  0.000244  1
  Zr  Zr89  1  0.375184  0.500148  0.250086  1
  Zr  Zr90  1  0.375298  0.500351  0.500134  1
  Zr  Zr91  1  0.375298  0.500351  0.750196  1
  Zr  Zr92  1  0.375184  0.750617  0.000244  1
  Zr  Zr93  1  0.375184  0.750617  0.250086  1
  Zr  Zr94  1  0.375298  0.750413  0.500134  1
  Zr  Zr95  1  0.375298  0.750413  0.750196  1
  Zr  Zr96  1  0.625325  1.000358  1.000141  1
  Zr  Zr97  1  0.625325  1.000358  0.250189  1
  Zr  Zr98  1  0.625325  0.000404  0.500130  1
  Zr  Zr99  1  0.625325  0.000404  0.750200  1
  Zr  Zr100  1  0.625325  0.250406  1.000141  1
  Zr  Zr101  1  0.625325  0.250406  0.250189  1
  Zr  Zr102  1  0.625325  0.250360  0.500130  1
  Zr  Zr103  1  0.625325  0.250360  0.750200  1
  Zr  Zr104  1  0.625325  0.500348  0.000187  1
  Zr  Zr105  1  0.625325  0.500348  0.250143  1
  Zr  Zr106  1  0.625325  0.500375  0.500158  1
  Zr  Zr107  1  0.625325  0.500375  0.750172  1
  Zr  Zr108  1  0.625325  0.750417  0.000187  1
  Zr  Zr109  1  0.625325  0.750417  0.250143  1
  Zr  Zr110  1  0.625325  0.750389  0.500158  1
  Zr  Zr111  1  0.625325  0.750389  0.750172  1
  Zr  Zr112  1  0.875828  0.000757  0.000541  1
  Zr  Zr113  1  0.875828  0.000757  0.249790  1
  Zr  Zr114  1  0.875465  0.000462  0.499930  1
  Zr  Zr115  1  0.875465  0.000462  0.750400  1
  Zr  Zr116  1  0.875828  0.250007  0.000541  1
  Zr  Zr117  1  0.875828  0.250007  0.249790  1
  Zr  Zr118  1  0.875465  0.250303  0.499930  1
  Zr  Zr119  1  0.875465  0.250303  0.750400  1
  Zr  Zr120  1  0.875465  0.500148  0.000244  1
  Zr  Zr121  1  0.875465  0.500148  0.250086  1
  Zr  Zr122  1  0.875352  0.500351  0.500134  1
  Zr  Zr123  1  0.875352  0.500351  0.750196  1
  Zr  Zr124  1  0.875465  0.750617  0.000244  1
  Zr  Zr125  1  0.875465  0.750617  0.250086  1
  Zr  Zr126  1  0.875352  0.750413  0.500134  1
  Zr  Zr127  1  0.875352  0.750413  0.750196  1
  Zr  Zr128  1  0.002204  0.125382  0.002045  1
  Zr  Zr129  1  0.002204  0.125382  0.248286  1
  Zr  Zr130  1  1.000259  0.125382  0.500180  1
  Zr  Zr131  1  1.000259  0.125382  0.750150  1
  Zr  Zr132  1  0.000700  0.374879  0.000541  1
  Zr  Zr133  1  0.000700  0.374879  0.249790  1
  Zr  Zr134  1  0.000404  0.375242  0.499930  1
  Zr  Zr135  1  0.000404  0.375242  0.750400  1
  Zr  Zr136  1  1.000301  0.625382  1.000141  1
  Zr  Zr137  1  1.000301  0.625382  0.250189  1
  Zr  Zr138  1  0.000347  0.625382  0.500130  1
  Zr  Zr139  1  0.000347  0.625382  0.750200  1
  Zr  Zr140  1  0.000700  0.875885  0.000541  1
  Zr  Zr141  1  0.000700  0.875885  0.249790  1
  Zr  Zr142  1  0.000404  0.875522  0.499930  1
  Zr  Zr143  1  0.000404  0.875522  0.750400  1
  Zr  Zr144  1  0.248445  0.125382  0.002045  1
  Zr  Zr145  1  0.248445  0.125382  0.248286  1
  Zr  Zr146  1  0.250390  0.125382  0.500180  1
  Zr  Zr147  1  0.250390  0.125382  0.750150  1
  Zr  Zr148  1  0.249949  0.374879  0.000541  1
  Zr  Zr149  1  0.249949  0.374879  0.249790  1
  Zr  Zr150  1  0.250246  0.375242  0.499930  1
  Zr  Zr151  1  0.250246  0.375242  0.750400  1
  Zr  Zr152  1  0.250349  0.625382  1.000141  1
  Zr  Zr153  1  0.250349  0.625382  0.250189  1
  Zr  Zr154  1  0.250303  0.625382  0.500130  1
  Zr  Zr155  1  0.250303  0.625382  0.750200  1
  Zr  Zr156  1  0.249949  0.875885  0.000541  1
  Zr  Zr157  1  0.249949  0.875885  0.249790  1
  Zr  Zr158  1  0.250246  0.875522  0.499930  1
  Zr  Zr159  1  0.250246  0.875522  0.750400  1
  Zr  Zr160  1  0.500339  0.125382  1.000100  1
  Zr  Zr161  1  0.500339  0.125382  0.250230  1
  Zr  Zr162  1  0.500124  0.125382  0.499964  1
  Zr  Zr163  1  0.500124  0.125382  0.750366  1
  Zr  Zr164  1  0.500090  0.375242  0.000244  1
  Zr  Zr165  1  0.500090  0.375242  0.250086  1
  Zr  Zr166  1  0.500294  0.375355  0.500134  1
  Zr  Zr167  1  0.500294  0.375355  0.750196  1
  Zr  Zr168  1  0.500290  0.625382  0.000187  1
  Zr  Zr169  1  0.500290  0.625382  0.250143  1
  Zr  Zr170  1  0.500318  0.625382  0.500158  1
  Zr  Zr171  1  0.500318  0.625382  0.750172  1
  Zr  Zr172  1  0.500090  0.875522  0.000244  1
  Zr  Zr173  1  0.500090  0.875522  0.250086  1
  Zr  Zr174  1  0.500294  0.875409  0.500134  1
  Zr  Zr175  1  0.500294  0.875409  0.750196  1
  Zr  Zr176  1  0.750310  0.125382  1.000100  1
  Zr  Zr177  1  0.750310  0.125382  0.250230  1
  Zr  Zr178  1  0.750526  0.125382  0.499964  1
  Zr  Zr179  1  0.750526  0.125382  0.750366  1
  Zr  Zr180  1  0.750560  0.375242  0.000244  1
  Zr  Zr181  1  0.750560  0.375242  0.250086  1
  Zr  Zr182  1  0.750356  0.375355  0.500134  1
  Zr  Zr183  1  0.750356  0.375355  0.750196  1
  Zr  Zr184  1  0.750359  0.625382  0.000187  1
  Zr  Zr185  1  0.750359  0.625382  0.250143  1
  Zr  Zr186  1  0.750332  0.625382  0.500158  1
  Zr  Zr187  1  0.750332  0.625382  0.750172  1
  Zr  Zr188  1  0.750560  0.875522  0.000244  1
  Zr  Zr189  1  0.750560  0.875522  0.250086  1
  Zr  Zr190  1  0.750356  0.875409  0.500134  1
  Zr  Zr191  1  0.750356  0.875409  0.750196  1
  Zr  Zr192  1  0.002204  0.002262  0.125165  1
  Zr  Zr193  1  0.000701  0.000757  0.374662  1
  Zr  Zr194  1  1.000301  1.000358  0.625165  1
  Zr  Zr195  1  0.000701  0.000757  0.875668  1
  Zr  Zr196  1  0.002204  0.248503  0.125165  1
  Zr  Zr197  1  0.000701  0.250007  0.374662  1
  Zr  Zr198  1  1.000301  0.250406  0.625165  1
  Zr  Zr199  1  0.000701  0.250007  0.875668  1
  Zr  Zr200  1  1.000259  0.500397  0.125165  1
  Zr  Zr201  1  0.000404  0.500148  0.375025  1
  Zr  Zr202  1  0.000347  0.500348  0.625165  1
  Zr  Zr203  1  0.000404  0.500148  0.875305  1
  Zr  Zr204  1  1.000259  0.750368  0.125165  1
  Zr  Zr205  1  0.000404  0.750617  0.375025  1
  Zr  Zr206  1  0.000347  0.750417  0.625165  1
  Zr  Zr207  1  0.000404  0.750617  0.875305  1
  Zr  Zr208  1  0.248446  0.002262  0.125165  1
  Zr  Zr209  1  0.249949  0.000757  0.374662  1
  Zr  Zr210  1  0.250349  1.000358  0.625165  1
  Zr  Zr211  1  0.249949  0.000757  0.875668  1
  Zr  Zr212  1  0.248446  0.248503  0.125165  1
  Zr  Zr213  1  0.249949  0.250007  0.374662  1
  Zr  Zr214  1  0.250349  0.250406  0.625165  1
  Zr  Zr215  1  0.249949  0.250007  0.875668  1
  Zr  Zr216  1  0.250390  0.500397  0.125165  1
  Zr  Zr217  1  0.250246  0.500148  0.375025  1
  Zr  Zr218  1  0.250303  0.500348  0.625165  1
  Zr  Zr219  1  0.250246  0.500148  0.875305  1
  Zr  Zr220  1  0.250390  0.750368  0.125165  1
  Zr  Zr221  1  0.250246  0.750617  0.375025  1
  Zr  Zr222  1  0.250303  0.750417  0.625165  1
  Zr  Zr223  1  0.250246  0.750617  0.875305  1
  Zr  Zr224  1  0.500339  1.000317  0.125165  1
  Zr  Zr225  1  0.500090  0.000461  0.375025  1
  Zr  Zr226  1  0.500290  0.000404  0.625165  1
  Zr  Zr227  1  0.500090  0.000461  0.875305  1
  Zr  Zr228  1  0.500339  0.250448  0.125165  1
  Zr  Zr229  1  0.500090  0.250303  0.375025  1
  Zr  Zr230  1  0.500290  0.250360  0.625165  1
  Zr  Zr231  1  0.500090  0.250303  0.875305  1
  Zr  Zr232  1  0.500124  0.500181  0.125165  1
  Zr  Zr233  1  0.500294  0.500351  0.375138  1
  Zr  Zr234  1  0.500318  0.500375  0.625165  1
  Zr  Zr235  1  0.500294  0.500351  0.875192  1
  Zr  Zr236  1  0.500124  0.750583  0.125165  1
  Zr  Zr237  1  0.500294  0.750413  0.375138  1
  Zr  Zr238  1  0.500318  0.750389  0.625165  1
  Zr  Zr239  1  0.500294  0.750413  0.875192  1
  Zr  Zr240  1  0.750310  1.000317  0.125165  1
  Zr  Zr241  1  0.750560  0.000461  0.375025  1
  Zr  Zr242  1  0.750359  0.000404  0.625165  1
  Zr  Zr243  1  0.750560  0.000461  0.875305  1
  Zr  Zr244  1  0.750310  0.250448  0.125165  1
  Zr  Zr245  1  0.750560  0.250303  0.375025  1
  Zr  Zr246  1  0.750359  0.250360  0.625165  1
  Zr  Zr247  1  0.750560  0.250303  0.875305  1
  Zr  Zr248  1  0.750525  0.500181  0.125165  1
  Zr  Zr249  1  0.750356  0.500351  0.375138  1
  Zr  Zr250  1  0.750332  0.500375  0.625165  1
  Zr  Zr251  1  0.750356  0.500351  0.875192  1
  Zr  Zr252  1  0.750525  0.750583  0.125165  1
  Zr  Zr253  1  0.750356  0.750413  0.375138  1
  Zr  Zr254  1  0.750332  0.750389  0.625165  1
  Zr  Zr255  1  0.750356  0.750413  0.875192  1
