# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.87763164
_cell_length_b   7.84528099
_cell_length_c   48.33426113
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr56
_cell_volume   2926.81230817
_cell_formula_units_Z   56
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  0.883397  0.886909  0.323194  1
  Zr  Zr2  1  0.591507  0.595397  0.282216  1
  Zr  Zr3  1  0.495087  0.973774  0.301596  1
  Zr  Zr4  1  0.969548  0.499108  0.301497  1
  Zr  Zr5  1  0.647051  0.651042  0.343410  1
  Zr  Zr6  1  0.329576  0.333007  0.267654  1
  Zr  Zr7  1  0.214769  0.731545  0.286706  1
  Zr  Zr8  1  0.728168  0.217763  0.286688  1
  Zr  Zr9  1  0.711916  0.716235  0.405593  1
  Zr  Zr10  1  0.386031  0.389383  0.326290  1
  Zr  Zr11  1  0.272758  0.804733  0.347933  1
  Zr  Zr12  1  0.801842  0.276110  0.347892  1
  Zr  Zr13  1  0.449585  0.453679  0.388838  1
  Zr  Zr14  1  0.123662  0.127049  0.307552  1
  Zr  Zr15  1  0.036806  0.564907  0.364708  1
  Zr  Zr16  1  0.561106  0.041025  0.364734  1
  Zr  Zr17  1  0.514885  0.518816  0.451698  1
  Zr  Zr18  1  0.188592  0.191741  0.371511  1
  Zr  Zr19  1  0.101649  0.629299  0.428241  1
  Zr  Zr20  1  0.625234  0.106083  0.428235  1
  Zr  Zr21  1  0.253291  0.256635  0.434758  1
  Zr  Zr22  1  0.949494  0.953175  0.387926  1
  Zr  Zr23  1  0.863409  0.343255  0.411469  1
  Zr  Zr24  1  0.339670  0.866712  0.411495  1
  Zr  Zr25  1  0.318112  0.321629  0.497897  1
  Zr  Zr26  1  0.014676  0.018623  0.451512  1
  Zr  Zr27  1  0.927980  0.408312  0.474866  1
  Zr  Zr28  1  0.404542  0.931446  0.474879  1
  Zr  Zr29  1  0.079836  0.083923  0.515001  1
  Zr  Zr30  1  0.776401  0.780918  0.468617  1
  Zr  Zr31  1  0.689970  0.171101  0.491635  1
  Zr  Zr32  1  0.166532  0.694234  0.491647  1
  Zr  Zr33  1  0.145019  0.149372  0.578587  1
  Zr  Zr34  1  0.841222  0.845912  0.531755  1
  Zr  Zr35  1  0.754843  0.235835  0.555018  1
  Zr  Zr36  1  0.231104  0.759292  0.555045  1
  Zr  Zr37  1  0.905920  0.910806  0.595002  1
  Zr  Zr38  1  0.579627  0.583731  0.514816  1
  Zr  Zr39  1  0.469278  0.996464  0.538279  1
  Zr  Zr40  1  0.992863  0.473247  0.538272  1
  Zr  Zr41  1  0.970850  0.975498  0.658962  1
  Zr  Zr42  1  0.644928  0.648868  0.577676  1
  Zr  Zr43  1  0.533407  0.061522  0.601780  1
  Zr  Zr44  1  0.057707  0.537640  0.601805  1
  Zr  Zr45  1  0.708482  0.713164  0.640223  1
  Zr  Zr46  1  0.382597  0.386312  0.560920  1
  Zr  Zr47  1  0.292670  0.826437  0.618621  1
  Zr  Zr48  1  0.821755  0.297814  0.618580  1
  Zr  Zr49  1  0.764937  0.769539  0.698859  1
  Zr  Zr50  1  0.447462  0.451505  0.623104  1
  Zr  Zr51  1  0.366345  0.884783  0.679826  1
  Zr  Zr52  1  0.879744  0.371002  0.679807  1
  Zr  Zr53  1  0.503005  0.507150  0.684297  1
  Zr  Zr54  1  0.211116  0.215638  0.643320  1
  Zr  Zr55  1  0.124965  0.603439  0.665017  1
  Zr  Zr56  1  0.599425  0.128773  0.664917  1
