# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.52953891
_cell_length_b   6.11430748
_cell_length_c   46.81854806
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.63589455
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr60
_cell_volume   3073.68529735
_cell_formula_units_Z   60
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  0.217488  0.715610  0.284700  1
  Zr  Zr2  1  0.494634  0.665989  0.299102  1
  Zr  Zr3  1  0.776940  0.605284  0.313167  1
  Zr  Zr4  1  0.153446  0.259454  0.274827  1
  Zr  Zr5  1  0.427909  0.199931  0.287773  1
  Zr  Zr6  1  0.703984  0.143965  0.302791  1
  Zr  Zr7  1  0.053979  0.550512  0.329734  1
  Zr  Zr8  1  0.334155  0.490702  0.344316  1
  Zr  Zr9  1  0.614086  0.437423  0.359354  1
  Zr  Zr10  1  0.982965  0.086845  0.316846  1
  Zr  Zr11  1  0.263917  0.038180  0.333356  1
  Zr  Zr12  1  0.546032  0.980707  0.348489  1
  Zr  Zr13  1  0.893234  0.380948  0.374654  1
  Zr  Zr14  1  0.173080  0.326242  0.390760  1
  Zr  Zr15  1  0.452736  0.270968  0.405563  1
  Zr  Zr16  1  0.824291  0.926445  0.363553  1
  Zr  Zr17  1  0.105246  0.869767  0.378171  1
  Zr  Zr18  1  0.385452  0.813740  0.393405  1
  Zr  Zr19  1  0.731996  0.215828  0.420672  1
  Zr  Zr20  1  0.011692  0.159650  0.435824  1
  Zr  Zr21  1  0.292023  0.104435  0.451167  1
  Zr  Zr22  1  0.665070  0.758172  0.408690  1
  Zr  Zr23  1  0.944619  0.703806  0.423674  1
  Zr  Zr24  1  0.224526  0.649732  0.438961  1
  Zr  Zr25  1  0.571729  0.049275  0.466303  1
  Zr  Zr26  1  0.851426  0.993981  0.481413  1
  Zr  Zr27  1  0.131182  0.938787  0.496629  1
  Zr  Zr28  1  0.504280  0.593966  0.454181  1
  Zr  Zr29  1  0.784145  0.538368  0.469285  1
  Zr  Zr30  1  0.063962  0.483040  0.484316  1
  Zr  Zr31  1  0.411023  0.883746  0.511909  1
  Zr  Zr32  1  0.690840  0.828418  0.526939  1
  Zr  Zr33  1  0.970704  0.772820  0.542044  1
  Zr  Zr34  1  0.343803  0.427999  0.499596  1
  Zr  Zr35  1  0.623558  0.372805  0.514812  1
  Zr  Zr36  1  0.903256  0.317511  0.529922  1
  Zr  Zr37  1  0.250459  0.717054  0.557264  1
  Zr  Zr38  1  0.530366  0.662980  0.572551  1
  Zr  Zr39  1  0.809915  0.608614  0.587535  1
  Zr  Zr40  1  0.182961  0.262351  0.545058  1
  Zr  Zr41  1  0.463293  0.207136  0.560401  1
  Zr  Zr42  1  0.742989  0.150958  0.575552  1
  Zr  Zr43  1  0.089533  0.553046  0.602820  1
  Zr  Zr44  1  0.369738  0.497019  0.618053  1
  Zr  Zr45  1  0.650694  0.440341  0.632672  1
  Zr  Zr46  1  0.022248  0.095818  0.590661  1
  Zr  Zr47  1  0.301905  0.040544  0.605465  1
  Zr  Zr48  1  0.581750  0.985838  0.621571  1
  Zr  Zr49  1  0.928953  0.386079  0.647736  1
  Zr  Zr50  1  0.211068  0.328606  0.662868  1
  Zr  Zr51  1  0.492020  0.279941  0.679378  1
  Zr  Zr52  1  0.860899  0.929362  0.636871  1
  Zr  Zr53  1  0.140830  0.876084  0.651908  1
  Zr  Zr54  1  0.421006  0.816274  0.666490  1
  Zr  Zr55  1  0.771001  0.222821  0.693434  1
  Zr  Zr56  1  0.047076  0.166855  0.708452  1
  Zr  Zr57  1  0.321539  0.107332  0.721398  1
  Zr  Zr58  1  0.698045  0.761502  0.683057  1
  Zr  Zr59  1  0.980351  0.700796  0.697123  1
  Zr  Zr60  1  0.257497  0.651176  0.711524  1
