# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12911913
_cell_length_b   13.95464465
_cell_length_c   46.45774589
_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   Zr66
_cell_volume   3325.2147817
_cell_formula_units_Z   66
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  0.753756  0.754306  0.305096  1
  Zr  Zr2  1  0.753756  0.545071  0.280237  1
  Zr  Zr3  1  0.753756  0.148239  0.293337  1
  Zr  Zr4  1  0.253756  0.888192  0.301187  1
  Zr  Zr5  1  0.253756  0.674815  0.276376  1
  Zr  Zr6  1  0.253756  0.281492  0.288822  1
  Zr  Zr7  1  0.753756  0.568987  0.346977  1
  Zr  Zr8  1  0.753756  0.356464  0.318691  1
  Zr  Zr9  1  0.753756  0.962378  0.332510  1
  Zr  Zr10  1  0.253756  0.704188  0.342053  1
  Zr  Zr11  1  0.253756  0.492342  0.314319  1
  Zr  Zr12  1  0.253756  0.098149  0.327571  1
  Zr  Zr13  1  0.753756  0.385318  0.388690  1
  Zr  Zr14  1  0.753756  0.173679  0.360593  1
  Zr  Zr15  1  0.753756  0.780646  0.374635  1
  Zr  Zr16  1  0.253756  0.518796  0.384062  1
  Zr  Zr17  1  0.253756  0.307939  0.355974  1
  Zr  Zr18  1  0.253756  0.914385  0.369516  1
  Zr  Zr19  1  0.753756  0.201456  0.430462  1
  Zr  Zr20  1  0.753756  0.990870  0.402611  1
  Zr  Zr21  1  0.753756  0.596461  0.416554  1
  Zr  Zr22  1  0.253756  0.334550  0.425762  1
  Zr  Zr23  1  0.253756  0.124000  0.397861  1
  Zr  Zr24  1  0.253756  0.729730  0.411734  1
  Zr  Zr25  1  0.753756  0.017379  0.472372  1
  Zr  Zr26  1  0.753756  0.806893  0.444452  1
  Zr  Zr27  1  0.753756  0.412173  0.458429  1
  Zr  Zr28  1  0.253756  0.150493  0.467612  1
  Zr  Zr29  1  0.253756  0.939971  0.439604  1
  Zr  Zr30  1  0.253756  0.545371  0.453686  1
  Zr  Zr31  1  0.753756  0.833241  0.514270  1
  Zr  Zr32  1  0.753756  0.622789  0.486366  1
  Zr  Zr33  1  0.753756  0.228013  0.500272  1
  Zr  Zr34  1  0.253756  0.966354  0.509442  1
  Zr  Zr35  1  0.253756  0.755902  0.481538  1
  Zr  Zr36  1  0.253756  0.361130  0.495536  1
  Zr  Zr37  1  0.753756  0.649172  0.556204  1
  Zr  Zr38  1  0.753756  0.438649  0.528196  1
  Zr  Zr39  1  0.753756  0.043772  0.542122  1
  Zr  Zr40  1  0.253756  0.782250  0.551356  1
  Zr  Zr41  1  0.253756  0.571763  0.523436  1
  Zr  Zr42  1  0.253756  0.176970  0.537380  1
  Zr  Zr43  1  0.753756  0.465143  0.597947  1
  Zr  Zr44  1  0.753756  0.254593  0.570046  1
  Zr  Zr45  1  0.753756  0.859413  0.584074  1
  Zr  Zr46  1  0.253756  0.598273  0.593197  1
  Zr  Zr47  1  0.253756  0.387687  0.565346  1
  Zr  Zr48  1  0.253756  0.992681  0.579254  1
  Zr  Zr49  1  0.753756  0.281204  0.639834  1
  Zr  Zr50  1  0.753756  0.070347  0.611746  1
  Zr  Zr51  1  0.753756  0.674758  0.626292  1
  Zr  Zr52  1  0.253756  0.415464  0.635215  1
  Zr  Zr53  1  0.253756  0.203825  0.607118  1
  Zr  Zr54  1  0.253756  0.808497  0.621173  1
  Zr  Zr55  1  0.753756  0.096801  0.681489  1
  Zr  Zr56  1  0.753756  0.884955  0.653755  1
  Zr  Zr57  1  0.753756  0.490994  0.668237  1
  Zr  Zr58  1  0.253756  0.232679  0.677117  1
  Zr  Zr59  1  0.253756  0.020156  0.648831  1
  Zr  Zr60  1  0.253756  0.626765  0.663298  1
  Zr  Zr61  1  0.753756  0.914328  0.719432  1
  Zr  Zr62  1  0.753756  0.700951  0.694621  1
  Zr  Zr63  1  0.753756  0.307651  0.706986  1
  Zr  Zr64  1  0.253756  0.044072  0.715571  1
  Zr  Zr65  1  0.253756  0.834837  0.690712  1
  Zr  Zr66  1  0.253756  0.440904  0.702471  1
