# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43565927
_cell_length_b   10.11150336
_cell_length_c   48.42412576
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr56
_cell_volume   2989.45359581
_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  0.727744  0.452827  0.312828  1
  Zr  Zr2  1  0.947166  0.892355  0.345250  1
  Zr  Zr3  1  0.618564  0.732156  0.297718  1
  Zr  Zr4  1  0.836681  0.171681  0.328336  1
  Zr  Zr5  1  0.116236  0.731980  0.297728  1
  Zr  Zr6  1  0.337275  0.171663  0.328317  1
  Zr  Zr7  1  0.225083  0.447403  0.311815  1
  Zr  Zr8  1  0.003835  0.005068  0.285196  1
  Zr  Zr9  1  0.169965  0.338636  0.375066  1
  Zr  Zr10  1  0.391197  0.781798  0.406276  1
  Zr  Zr11  1  0.060340  0.615946  0.359095  1
  Zr  Zr12  1  0.281311  0.060132  0.391055  1
  Zr  Zr13  1  0.557254  0.615990  0.359086  1
  Zr  Zr14  1  0.779738  0.060121  0.391059  1
  Zr  Zr15  1  0.669553  0.337886  0.374920  1
  Zr  Zr16  1  0.449530  0.897082  0.342826  1
  Zr  Zr17  1  0.613082  0.226233  0.437879  1
  Zr  Zr18  1  0.834331  0.669386  0.469206  1
  Zr  Zr19  1  0.501759  0.503676  0.422063  1
  Zr  Zr20  1  0.723396  0.947706  0.453535  1
  Zr  Zr21  1  0.002170  0.503667  0.422065  1
  Zr  Zr22  1  0.223915  0.947708  0.453533  1
  Zr  Zr23  1  0.112978  0.226010  0.437891  1
  Zr  Zr24  1  0.890713  0.780862  0.406838  1
  Zr  Zr25  1  0.056092  0.113552  0.500525  1
  Zr  Zr26  1  0.277792  0.557610  0.531948  1
  Zr  Zr27  1  0.945478  0.391747  0.484874  1
  Zr  Zr28  1  0.167003  0.835455  0.516175  1
  Zr  Zr29  1  0.445227  0.391748  0.484874  1
  Zr  Zr30  1  0.666751  0.835456  0.516175  1
  Zr  Zr31  1  0.556137  0.113651  0.500524  1
  Zr  Zr32  1  0.334437  0.669593  0.469101  1
  Zr  Zr33  1  0.499251  1.001193  0.563158  1
  Zr  Zr34  1  0.721516  0.446340  0.594211  1
  Zr  Zr35  1  0.388314  0.279495  0.547516  1
  Zr  Zr36  1  0.610059  0.723536  0.578984  1
  Zr  Zr37  1  0.888833  0.279497  0.547515  1
  Zr  Zr38  1  0.110470  0.723527  0.578986  1
  Zr  Zr39  1  0.999147  1.000970  0.563171  1
  Zr  Zr40  1  0.777898  0.557817  0.531843  1
  Zr  Zr41  1  0.942676  0.889317  0.626129  1
  Zr  Zr42  1  0.162699  0.330121  0.658223  1
  Zr  Zr43  1  0.832491  0.167082  0.609990  1
  Zr  Zr44  1  0.054975  0.611213  0.641963  1
  Zr  Zr45  1  0.330919  0.167071  0.609994  1
  Zr  Zr46  1  0.551889  0.611257  0.641954  1
  Zr  Zr47  1  0.442264  0.888567  0.625983  1
  Zr  Zr48  1  0.221032  0.445405  0.594773  1
  Zr  Zr49  1  0.387146  0.779800  0.689234  1
  Zr  Zr50  1  0.608394  0.222135  0.715853  1
  Zr  Zr51  1  0.274954  0.055540  0.672732  1
  Zr  Zr52  1  0.495993  0.495223  0.703322  1
  Zr  Zr53  1  0.775548  0.055522  0.672713  1
  Zr  Zr54  1  0.993665  0.495047  0.703332  1
  Zr  Zr55  1  0.884485  0.774376  0.688221  1
  Zr  Zr56  1  0.665063  0.334848  0.655799  1
