# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.52326407
_cell_length_b   6.04858224
_cell_length_c   46.92412381
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.41767907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr60
_cell_volume   3041.28322883
_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  0.139267  0.107108  0.306693  1
  Zr  Zr2  1  0.588009  0.213150  0.280617  1
  Zr  Zr3  1  0.863026  0.161177  0.292610  1
  Zr  Zr4  1  0.071079  0.649699  0.295966  1
  Zr  Zr5  1  0.348592  0.591156  0.309258  1
  Zr  Zr6  1  0.795580  0.706675  0.282369  1
  Zr  Zr7  1  0.981387  0.935966  0.352063  1
  Zr  Zr8  1  0.419055  0.049312  0.320191  1
  Zr  Zr9  1  0.700669  0.995892  0.337635  1
  Zr  Zr10  1  0.911857  0.480846  0.340234  1
  Zr  Zr11  1  0.192391  0.423789  0.354874  1
  Zr  Zr12  1  0.628536  0.545443  0.324173  1
  Zr  Zr13  1  0.820827  0.767418  0.398005  1
  Zr  Zr14  1  0.261255  0.879891  0.366234  1
  Zr  Zr15  1  0.539522  0.823889  0.381991  1
  Zr  Zr16  1  0.752103  0.314759  0.385498  1
  Zr  Zr17  1  0.033452  0.255614  0.400679  1
  Zr  Zr18  1  0.471251  0.369086  0.369403  1
  Zr  Zr19  1  0.660361  0.598163  0.443282  1
  Zr  Zr20  1  0.101232  0.710788  0.412786  1
  Zr  Zr21  1  0.380498  0.654216  0.427716  1
  Zr  Zr22  1  0.592456  0.143886  0.430689  1
  Zr  Zr23  1  0.873199  0.087656  0.446252  1
  Zr  Zr24  1  0.313078  0.199272  0.415499  1
  Zr  Zr25  1  0.500862  0.428353  0.488814  1
  Zr  Zr26  1  0.941214  0.541457  0.458648  1
  Zr  Zr27  1  0.221122  0.484990  0.473654  1
  Zr  Zr28  1  0.433102  0.974170  0.476472  1
  Zr  Zr29  1  0.713344  0.918013  0.491742  1
  Zr  Zr30  1  0.153496  0.030535  0.461422  1
  Zr  Zr31  1  0.341106  0.259456  0.534570  1
  Zr  Zr32  1  0.781258  0.371978  0.504250  1
  Zr  Zr33  1  0.061500  0.315821  0.519520  1
  Zr  Zr34  1  0.273480  0.805001  0.522339  1
  Zr  Zr35  1  0.553388  0.748535  0.537345  1
  Zr  Zr36  1  0.993740  0.861638  0.507179  1
  Zr  Zr37  1  0.181523  0.090720  0.580493  1
  Zr  Zr38  1  0.621402  0.202336  0.549740  1
  Zr  Zr39  1  0.902146  0.146106  0.565304  1
  Zr  Zr40  1  0.114104  0.635775  0.568276  1
  Zr  Zr41  1  0.393370  0.579204  0.583207  1
  Zr  Zr42  1  0.834241  0.691829  0.552711  1
  Zr  Zr43  1  0.023350  0.920905  0.626590  1
  Zr  Zr44  1  0.461150  0.034377  0.595313  1
  Zr  Zr45  1  0.742499  0.975232  0.610495  1
  Zr  Zr46  1  0.955080  0.466102  0.614002  1
  Zr  Zr47  1  0.233346  0.410100  0.629759  1
  Zr  Zr48  1  0.673775  0.522573  0.597987  1
  Zr  Zr49  1  0.866066  0.744549  0.671819  1
  Zr  Zr50  1  0.302211  0.866203  0.641118  1
  Zr  Zr51  1  0.582745  0.809146  0.655759  1
  Zr  Zr52  1  0.793932  0.294099  0.658357  1
  Zr  Zr53  1  0.075547  0.240680  0.675801  1
  Zr  Zr54  1  0.513214  0.354026  0.643929  1
  Zr  Zr55  1  0.699022  0.583317  0.713624  1
  Zr  Zr56  1  0.146010  0.698835  0.686735  1
  Zr  Zr57  1  0.423522  0.640293  0.700026  1
  Zr  Zr58  1  0.631576  0.128814  0.703382  1
  Zr  Zr59  1  0.906593  0.076841  0.715375  1
  Zr  Zr60  1  0.355335  0.182884  0.689300  1
