# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.49472464
_cell_length_b   12.88363363
_cell_length_c   47.63037826
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   55.58927997
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr144
_cell_volume   7338.21462027
_cell_formula_units_Z   144
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  0.152425  0.726941  0.294162  1
  Zr  Zr2  1  0.796789  0.734124  0.293761  1
  Zr  Zr3  1  0.182456  0.313923  0.281916  1
  Zr  Zr4  1  0.472724  0.722374  0.295353  1
  Zr  Zr5  1  0.704655  0.581801  0.331470  1
  Zr  Zr6  1  0.094536  0.161811  0.314985  1
  Zr  Zr7  1  0.384345  0.580864  0.331792  1
  Zr  Zr8  1  0.765861  0.145383  0.313409  1
  Zr  Zr9  1  0.410696  0.164615  0.317626  1
  Zr  Zr10  1  1.001824  0.020308  0.288918  1
  Zr  Zr11  1  0.642097  0.034868  0.289883  1
  Zr  Zr12  1  0.904072  0.864027  0.320336  1
  Zr  Zr13  1  0.330097  0.013875  0.287306  1
  Zr  Zr14  1  0.565869  0.870310  0.322455  1
  Zr  Zr15  1  0.937228  0.449698  0.306069  1
  Zr  Zr16  1  0.235747  0.873209  0.323426  1
  Zr  Zr17  1  0.618402  0.430575  0.303437  1
  Zr  Zr18  1  0.311997  0.434078  0.298835  1
  Zr  Zr19  1  0.003238  0.998283  0.351740  1
  Zr  Zr20  1  0.670573  0.996029  0.352065  1
  Zr  Zr21  1  0.061846  0.570322  0.323654  1
  Zr  Zr22  1  0.332302  0.008035  0.352480  1
  Zr  Zr23  1  0.582564  0.846411  0.387462  1
  Zr  Zr24  1  0.949557  0.421495  0.369759  1
  Zr  Zr25  1  0.243380  0.846454  0.388251  1
  Zr  Zr26  1  0.623165  0.426016  0.368639  1
  Zr  Zr27  1  0.298301  0.421122  0.364422  1
  Zr  Zr28  1  0.858357  0.283835  0.339448  1
  Zr  Zr29  1  0.534955  0.279163  0.339189  1
  Zr  Zr30  1  0.768761  0.134625  0.378614  1
  Zr  Zr31  1  0.180317  0.300452  0.345361  1
  Zr  Zr32  1  0.434716  0.139661  0.381196  1
  Zr  Zr33  1  0.822364  0.701961  0.356377  1
  Zr  Zr34  1  0.097689  0.134038  0.379756  1
  Zr  Zr35  1  0.474875  0.720671  0.360253  1
  Zr  Zr36  1  0.146000  0.711523  0.358100  1
  Zr  Zr37  1  0.863970  0.270269  0.407160  1
  Zr  Zr38  1  0.536195  0.270966  0.406030  1
  Zr  Zr39  1  0.912644  0.844137  0.387149  1
  Zr  Zr40  1  0.200913  0.264172  0.407880  1
  Zr  Zr41  1  0.445759  0.112533  0.445398  1
  Zr  Zr42  1  0.827777  0.688756  0.422750  1
  Zr  Zr43  1  0.110671  0.112749  0.444700  1
  Zr  Zr44  1  0.489135  0.690737  0.424333  1
  Zr  Zr45  1  0.154273  0.689483  0.423726  1
  Zr  Zr46  1  0.720460  0.561402  0.396861  1
  Zr  Zr47  1  0.388375  0.558776  0.396613  1
  Zr  Zr48  1  0.632137  0.404862  0.434744  1
  Zr  Zr49  1  0.062805  0.548575  0.392747  1
  Zr  Zr50  1  0.302418  0.397603  0.431690  1
  Zr  Zr51  1  0.679028  0.982374  0.417145  1
  Zr  Zr52  1  0.967921  0.402034  0.434161  1
  Zr  Zr53  1  0.346960  0.977241  0.416450  1
  Zr  Zr54  1  0.009855  0.979754  0.416727  1
  Zr  Zr55  1  0.735674  0.534663  0.461118  1
  Zr  Zr56  1  0.398461  0.534450  0.461189  1
  Zr  Zr57  1  0.777525  0.115864  0.444672  1
  Zr  Zr58  1  0.069630  0.533402  0.460243  1
  Zr  Zr59  1  0.312187  0.379373  0.498601  1
  Zr  Zr60  1  0.689277  0.958324  0.481864  1
  Zr  Zr61  1  0.978716  0.380152  0.499507  1
  Zr  Zr62  1  0.356258  0.957418  0.481410  1
  Zr  Zr63  1  0.021912  0.958905  0.481573  1
  Zr  Zr64  1  0.592417  0.822001  0.452227  1
  Zr  Zr65  1  0.255438  0.823172  0.452730  1
  Zr  Zr66  1  0.501076  0.667237  0.488621  1
  Zr  Zr67  1  0.921933  0.825529  0.452832  1
  Zr  Zr68  1  0.165978  0.669495  0.489112  1
  Zr  Zr69  1  0.544630  0.246567  0.471640  1
  Zr  Zr70  1  0.835824  0.667269  0.488381  1
  Zr  Zr71  1  0.211850  0.246422  0.472400  1
  Zr  Zr72  1  0.877524  0.248316  0.472652  1
  Zr  Zr73  1  0.601009  0.802026  0.517413  1
  Zr  Zr74  1  0.266636  0.803053  0.517697  1
  Zr  Zr75  1  0.644088  0.379955  0.499500  1
  Zr  Zr76  1  0.933574  0.801952  0.517520  1
  Zr  Zr77  1  0.177308  0.646656  0.553905  1
  Zr  Zr78  1  0.556293  0.226104  0.537834  1
  Zr  Zr79  1  0.846206  0.645473  0.553481  1
  Zr  Zr80  1  0.222681  0.225345  0.537140  1
  Zr  Zr81  1  0.886956  0.226149  0.538234  1
  Zr  Zr82  1  0.456304  0.092266  0.510242  1
  Zr  Zr83  1  0.121332  0.092542  0.509950  1
  Zr  Zr84  1  0.366010  0.938394  0.546596  1
  Zr  Zr85  1  0.788696  0.092020  0.509794  1
  Zr  Zr86  1  0.031707  0.936359  0.546425  1
  Zr  Zr87  1  0.410870  0.513861  0.526092  1
  Zr  Zr88  1  0.701449  0.936329  0.546700  1
  Zr  Zr89  1  0.079350  0.512236  0.526100  1
  Zr  Zr90  1  0.745156  0.512588  0.525809  1
  Zr  Zr91  1  0.468924  0.071020  0.575086  1
  Zr  Zr92  1  0.130429  0.070416  0.574810  1
  Zr  Zr93  1  0.510966  0.648245  0.553614  1
  Zr  Zr94  1  0.798411  0.072476  0.575983  1
  Zr  Zr95  1  0.040978  0.916651  0.611860  1
  Zr  Zr96  1  0.418663  0.494064  0.590694  1
  Zr  Zr97  1  0.711791  0.917028  0.612114  1
  Zr  Zr98  1  0.090500  0.488589  0.591366  1
  Zr  Zr99  1  0.757524  0.493400  0.590506  1
  Zr  Zr100  1  0.323239  0.357605  0.564414  1
  Zr  Zr101  1  0.989535  0.357106  0.564600  1
  Zr  Zr102  1  0.235617  0.198581  0.601158  1
  Zr  Zr103  1  0.654124  0.360918  0.565139  1
  Zr  Zr104  1  0.898033  0.208164  0.604857  1
  Zr  Zr105  1  0.275230  0.782429  0.582523  1
  Zr  Zr106  1  0.563337  0.208834  0.604881  1
  Zr  Zr107  1  0.944808  0.779486  0.582367  1
  Zr  Zr108  1  0.612415  0.782377  0.582482  1
  Zr  Zr109  1  0.327909  0.336163  0.630519  1
  Zr  Zr110  1  0.005442  0.336293  0.630558  1
  Zr  Zr111  1  0.377793  0.914366  0.610876  1
  Zr  Zr112  1  0.663797  0.343130  0.629445  1
  Zr  Zr113  1  0.917984  0.190226  0.672761  1
  Zr  Zr114  1  0.291087  0.756265  0.647100  1
  Zr  Zr115  1  0.561283  0.189863  0.672996  1
  Zr  Zr116  1  0.949299  0.771033  0.647860  1
  Zr  Zr117  1  0.622108  0.756728  0.647185  1
  Zr  Zr118  1  0.185415  0.626039  0.619123  1
  Zr  Zr119  1  0.857915  0.626271  0.619020  1
  Zr  Zr120  1  0.091240  0.486967  0.658855  1
  Zr  Zr121  1  0.522379  0.625427  0.617729  1
  Zr  Zr122  1  0.771517  0.465507  0.654276  1
  Zr  Zr123  1  0.144716  0.045731  0.639853  1
  Zr  Zr124  1  0.433358  0.464711  0.654260  1
  Zr  Zr125  1  0.803487  0.062354  0.642882  1
  Zr  Zr126  1  0.479189  0.045891  0.640022  1
  Zr  Zr127  1  0.206023  0.611604  0.683803  1
  Zr  Zr128  1  0.852119  0.611773  0.683861  1
  Zr  Zr129  1  0.243801  0.181886  0.666106  1
  Zr  Zr130  1  0.537516  0.594510  0.682499  1
  Zr  Zr131  1  0.771959  0.450948  0.717355  1
  Zr  Zr132  1  0.157994  0.042350  0.704625  1
  Zr  Zr133  1  0.446420  0.451282  0.717389  1
  Zr  Zr134  1  0.824122  0.021793  0.705238  1
  Zr  Zr135  1  0.468666  0.041928  0.704719  1
  Zr  Zr136  1  0.055714  0.897772  0.677986  1
  Zr  Zr137  1  0.716280  0.897625  0.678244  1
  Zr  Zr138  1  0.974163  0.721882  0.709200  1
  Zr  Zr139  1  0.389476  0.890216  0.675398  1
  Zr  Zr140  1  0.616271  0.750014  0.711854  1
  Zr  Zr141  1  0.016760  0.335613  0.696448  1
  Zr  Zr142  1  0.302779  0.750317  0.711814  1
  Zr  Zr143  1  0.682128  0.305346  0.691997  1
  Zr  Zr144  1  0.316848  0.335731  0.696470  1
