# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.07391228
_cell_length_b   16.87123571
_cell_length_c   45.90474387
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.24838095
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr156
_cell_volume   8096.97452808
_cell_formula_units_Z   156
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  0.464614  0.737755  0.301969  1
  Zr  Zr2  1  0.964614  0.737755  0.301969  1
  Zr  Zr3  1  0.884377  0.079320  0.291792  1
  Zr  Zr4  1  0.299094  0.422804  0.281977  1
  Zr  Zr5  1  0.384377  0.079320  0.291792  1
  Zr  Zr6  1  0.799094  0.422804  0.281977  1
  Zr  Zr7  1  0.202154  0.579249  0.291781  1
  Zr  Zr8  1  0.702154  0.579249  0.291781  1
  Zr  Zr9  1  0.630891  0.922909  0.281958  1
  Zr  Zr10  1  0.780279  0.237694  0.301946  1
  Zr  Zr11  1  0.130891  0.922909  0.281958  1
  Zr  Zr12  1  0.280279  0.237694  0.301946  1
  Zr  Zr13  1  0.201848  0.720028  0.336653  1
  Zr  Zr14  1  0.701848  0.720028  0.336653  1
  Zr  Zr15  1  0.622540  0.059409  0.325801  1
  Zr  Zr16  1  0.039220  0.396843  0.313247  1
  Zr  Zr17  1  0.122540  0.059409  0.325801  1
  Zr  Zr18  1  0.539220  0.396843  0.313247  1
  Zr  Zr19  1  0.944070  0.559429  0.325784  1
  Zr  Zr20  1  0.444070  0.559429  0.325784  1
  Zr  Zr21  1  0.364704  0.896832  0.313211  1
  Zr  Zr22  1  0.525417  0.220070  0.336636  1
  Zr  Zr23  1  0.864704  0.896832  0.313211  1
  Zr  Zr24  1  0.025417  0.220070  0.336636  1
  Zr  Zr25  1  0.937799  0.698268  0.371122  1
  Zr  Zr26  1  0.437799  0.698268  0.371122  1
  Zr  Zr27  1  0.358806  0.037928  0.359387  1
  Zr  Zr28  1  0.780328  0.378954  0.348633  1
  Zr  Zr29  1  0.858806  0.037928  0.359387  1
  Zr  Zr30  1  0.280328  0.378954  0.348633  1
  Zr  Zr31  1  0.686351  0.537930  0.359376  1
  Zr  Zr32  1  0.186351  0.537930  0.359376  1
  Zr  Zr33  1  0.105830  0.878967  0.348610  1
  Zr  Zr34  1  0.267720  0.198285  0.371103  1
  Zr  Zr35  1  0.605830  0.878967  0.348610  1
  Zr  Zr36  1  0.767720  0.198285  0.371103  1
  Zr  Zr37  1  0.677138  0.677593  0.405990  1
  Zr  Zr38  1  0.177138  0.677593  0.405990  1
  Zr  Zr39  1  0.097823  0.018066  0.394825  1
  Zr  Zr40  1  0.517835  0.358141  0.383149  1
  Zr  Zr41  1  0.597823  0.018066  0.394825  1
  Zr  Zr42  1  0.017835  0.358141  0.383149  1
  Zr  Zr43  1  0.427521  0.518079  0.394809  1
  Zr  Zr44  1  0.927521  0.518079  0.394809  1
  Zr  Zr45  1  0.847558  0.858159  0.383123  1
  Zr  Zr46  1  0.007738  0.177600  0.405971  1
  Zr  Zr47  1  0.347558  0.858159  0.383123  1
  Zr  Zr48  1  0.507738  0.177600  0.405971  1
  Zr  Zr49  1  0.416934  0.657597  0.440571  1
  Zr  Zr50  1  0.916934  0.657597  0.440571  1
  Zr  Zr51  1  0.837042  0.997584  0.429003  1
  Zr  Zr52  1  0.257034  0.337438  0.417581  1
  Zr  Zr53  1  0.337042  0.997584  0.429003  1
  Zr  Zr54  1  0.757034  0.337438  0.417581  1
  Zr  Zr55  1  0.167850  0.497600  0.428990  1
  Zr  Zr56  1  0.667850  0.497600  0.428990  1
  Zr  Zr57  1  0.587689  0.837450  0.417560  1
  Zr  Zr58  1  0.747984  0.157611  0.440553  1
  Zr  Zr59  1  0.087689  0.837450  0.417560  1
  Zr  Zr60  1  0.247984  0.157611  0.440553  1
  Zr  Zr61  1  0.156598  0.637003  0.475099  1
  Zr  Zr62  1  0.656598  0.637003  0.475099  1
  Zr  Zr63  1  0.576742  0.977110  0.463639  1
  Zr  Zr64  1  0.996919  0.317278  0.452140  1
  Zr  Zr65  1  0.076742  0.977110  0.463639  1
  Zr  Zr66  1  0.496919  0.317278  0.452140  1
  Zr  Zr67  1  0.907708  0.477120  0.463624  1
  Zr  Zr68  1  0.407708  0.477120  0.463624  1
  Zr  Zr69  1  0.327687  0.817291  0.452119  1
  Zr  Zr70  1  0.487757  0.137013  0.475080  1
  Zr  Zr71  1  0.827687  0.817291  0.452119  1
  Zr  Zr72  1  0.987757  0.137013  0.475080  1
  Zr  Zr73  1  0.896486  0.616644  0.509658  1
  Zr  Zr74  1  0.396486  0.616644  0.509658  1
  Zr  Zr75  1  0.316551  0.956759  0.498165  1
  Zr  Zr76  1  0.736587  0.296873  0.486676  1
  Zr  Zr77  1  0.816551  0.956759  0.498165  1
  Zr  Zr78  1  0.236587  0.296873  0.486676  1
  Zr  Zr79  1  0.647583  0.456772  0.498150  1
  Zr  Zr80  1  0.147583  0.456772  0.498150  1
  Zr  Zr81  1  0.067648  0.796886  0.486657  1
  Zr  Zr82  1  0.227547  0.116657  0.509639  1
  Zr  Zr83  1  0.567648  0.796886  0.486657  1
  Zr  Zr84  1  0.727547  0.116657  0.509639  1
  Zr  Zr85  1  0.636448  0.596240  0.544196  1
  Zr  Zr86  1  0.136448  0.596240  0.544196  1
  Zr  Zr87  1  0.056426  0.936410  0.532691  1
  Zr  Zr88  1  0.476378  0.276517  0.521235  1
  Zr  Zr89  1  0.556426  0.936410  0.532691  1
  Zr  Zr90  1  0.976378  0.276517  0.521235  1
  Zr  Zr91  1  0.387392  0.436420  0.532676  1
  Zr  Zr92  1  0.887392  0.436420  0.532676  1
  Zr  Zr93  1  0.807536  0.776527  0.521216  1
  Zr  Zr94  1  0.967216  0.096252  0.544176  1
  Zr  Zr95  1  0.307536  0.776527  0.521216  1
  Zr  Zr96  1  0.467216  0.096252  0.544176  1
  Zr  Zr97  1  0.376445  0.576080  0.578755  1
  Zr  Zr98  1  0.876445  0.576080  0.578755  1
  Zr  Zr99  1  0.796284  0.915930  0.567326  1
  Zr  Zr100  1  0.216150  0.255920  0.555762  1
  Zr  Zr101  1  0.296284  0.915930  0.567326  1
  Zr  Zr102  1  0.716150  0.255920  0.555762  1
  Zr  Zr103  1  0.127092  0.415946  0.567312  1
  Zr  Zr104  1  0.627092  0.415946  0.567312  1
  Zr  Zr105  1  0.547200  0.755933  0.555744  1
  Zr  Zr106  1  0.707100  0.076093  0.578735  1
  Zr  Zr107  1  0.047200  0.755933  0.555744  1
  Zr  Zr108  1  0.207100  0.076093  0.578735  1
  Zr  Zr109  1  0.116576  0.555371  0.613193  1
  Zr  Zr110  1  0.616576  0.555371  0.613193  1
  Zr  Zr111  1  0.536613  0.895451  0.601506  1
  Zr  Zr112  1  0.956397  0.235931  0.590345  1
  Zr  Zr113  1  0.036613  0.895451  0.601506  1
  Zr  Zr114  1  0.456397  0.235931  0.590345  1
  Zr  Zr115  1  0.866311  0.395465  0.601490  1
  Zr  Zr116  1  0.366311  0.395465  0.601490  1
  Zr  Zr117  1  0.286996  0.735937  0.590326  1
  Zr  Zr118  1  0.446300  0.055389  0.613166  1
  Zr  Zr119  1  0.786996  0.735937  0.590326  1
  Zr  Zr120  1  0.946300  0.055389  0.613166  1
  Zr  Zr121  1  0.858305  0.534563  0.647705  1
  Zr  Zr122  1  0.358305  0.534563  0.647705  1
  Zr  Zr123  1  0.277783  0.875601  0.636940  1
  Zr  Zr124  1  0.696414  0.215246  0.625212  1
  Zr  Zr125  1  0.777783  0.875601  0.636940  1
  Zr  Zr126  1  0.196414  0.215246  0.625212  1
  Zr  Zr127  1  0.605328  0.375603  0.636928  1
  Zr  Zr128  1  0.105328  0.375603  0.636928  1
  Zr  Zr129  1  0.026335  0.715263  0.625194  1
  Zr  Zr130  1  0.183806  0.034576  0.647683  1
  Zr  Zr131  1  0.526335  0.715263  0.625194  1
  Zr  Zr132  1  0.683806  0.034576  0.647683  1
  Zr  Zr133  1  0.599431  0.516698  0.683105  1
  Zr  Zr134  1  0.099431  0.516698  0.683105  1
  Zr  Zr135  1  0.020064  0.854102  0.670531  1
  Zr  Zr136  1  0.438717  0.193460  0.659679  1
  Zr  Zr137  1  0.520064  0.854102  0.670531  1
  Zr  Zr138  1  0.938717  0.193460  0.659679  1
  Zr  Zr139  1  0.341594  0.354121  0.670514  1
  Zr  Zr140  1  0.841594  0.354121  0.670514  1
  Zr  Zr141  1  0.762286  0.693502  0.659662  1
  Zr  Zr142  1  0.924914  0.016687  0.683068  1
  Zr  Zr143  1  0.262286  0.693502  0.659662  1
  Zr  Zr144  1  0.424914  0.016687  0.683068  1
  Zr  Zr145  1  0.333243  0.490621  0.714357  1
  Zr  Zr146  1  0.833243  0.490621  0.714357  1
  Zr  Zr147  1  0.761981  0.834282  0.704534  1
  Zr  Zr148  1  0.183855  0.175837  0.694370  1
  Zr  Zr149  1  0.261981  0.834282  0.704534  1
  Zr  Zr150  1  0.683855  0.175837  0.694370  1
  Zr  Zr151  1  0.079757  0.334210  0.704523  1
  Zr  Zr152  1  0.579757  0.334210  0.704523  1
  Zr  Zr153  1  0.499520  0.675775  0.694347  1
  Zr  Zr154  1  0.665040  0.990726  0.714339  1
  Zr  Zr155  1  0.999520  0.675775  0.694347  1
  Zr  Zr156  1  0.165040  0.990726  0.714339  1
