# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.52342013
_cell_length_b   6.11591790
_cell_length_c   46.83711742
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.63588661
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr60
_cell_volume   3074.08182098
_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  0.217726  0.715683  0.284537  1
  Zr  Zr2  1  0.494928  0.666095  0.298932  1
  Zr  Zr3  1  0.777253  0.605375  0.312995  1
  Zr  Zr4  1  0.153612  0.259494  0.274687  1
  Zr  Zr5  1  0.428145  0.199992  0.287629  1
  Zr  Zr6  1  0.704240  0.144003  0.302649  1
  Zr  Zr7  1  0.054280  0.550599  0.329569  1
  Zr  Zr8  1  0.334455  0.490774  0.344139  1
  Zr  Zr9  1  0.614389  0.437479  0.359174  1
  Zr  Zr10  1  0.983216  0.086879  0.316712  1
  Zr  Zr11  1  0.264163  0.038156  0.333200  1
  Zr  Zr12  1  0.546277  0.980669  0.348333  1
  Zr  Zr13  1  0.893531  0.380989  0.374475  1
  Zr  Zr14  1  0.173387  0.326256  0.390573  1
  Zr  Zr15  1  0.453045  0.270978  0.405372  1
  Zr  Zr16  1  0.824541  0.926390  0.363399  1
  Zr  Zr17  1  0.105505  0.869714  0.378016  1
  Zr  Zr18  1  0.385706  0.813673  0.393241  1
  Zr  Zr19  1  0.732304  0.215819  0.420481  1
  Zr  Zr20  1  0.012005  0.159626  0.435630  1
  Zr  Zr21  1  0.292337  0.104392  0.450966  1
  Zr  Zr22  1  0.665320  0.758091  0.408525  1
  Zr  Zr23  1  0.944879  0.703703  0.423506  1
  Zr  Zr24  1  0.224789  0.649609  0.438789  1
  Zr  Zr25  1  0.572041  0.049220  0.466100  1
  Zr  Zr26  1  0.851743  0.993909  0.481207  1
  Zr  Zr27  1  0.131502  0.938701  0.496420  1
  Zr  Zr28  1  0.504541  0.593831  0.454005  1
  Zr  Zr29  1  0.784408  0.538221  0.469107  1
  Zr  Zr30  1  0.064230  0.482877  0.484135  1
  Zr  Zr31  1  0.411341  0.883642  0.511695  1
  Zr  Zr32  1  0.691163  0.828298  0.526723  1
  Zr  Zr33  1  0.971030  0.772688  0.541825  1
  Zr  Zr34  1  0.344069  0.427818  0.499410  1
  Zr  Zr35  1  0.623828  0.372610  0.514623  1
  Zr  Zr36  1  0.903530  0.317299  0.529730  1
  Zr  Zr37  1  0.250782  0.716910  0.557041  1
  Zr  Zr38  1  0.530692  0.662816  0.572324  1
  Zr  Zr39  1  0.810251  0.608427  0.587305  1
  Zr  Zr40  1  0.183234  0.262126  0.544864  1
  Zr  Zr41  1  0.463566  0.206893  0.560200  1
  Zr  Zr42  1  0.743267  0.150700  0.575349  1
  Zr  Zr43  1  0.089865  0.552846  0.602589  1
  Zr  Zr44  1  0.370066  0.496805  0.617814  1
  Zr  Zr45  1  0.651030  0.440129  0.632431  1
  Zr  Zr46  1  0.022526  0.095541  0.590457  1
  Zr  Zr47  1  0.302184  0.040263  0.605257  1
  Zr  Zr48  1  0.582040  0.985530  0.621355  1
  Zr  Zr49  1  0.929294  0.385849  0.647497  1
  Zr  Zr50  1  0.211408  0.328362  0.662629  1
  Zr  Zr51  1  0.492355  0.279640  0.679118  1
  Zr  Zr52  1  0.861182  0.929040  0.636656  1
  Zr  Zr53  1  0.141116  0.875745  0.651691  1
  Zr  Zr54  1  0.421291  0.815920  0.666260  1
  Zr  Zr55  1  0.771331  0.222516  0.693181  1
  Zr  Zr56  1  0.047426  0.166527  0.708200  1
  Zr  Zr57  1  0.321959  0.107025  0.721143  1
  Zr  Zr58  1  0.698318  0.761144  0.682834  1
  Zr  Zr59  1  0.980643  0.700424  0.696898  1
  Zr  Zr60  1  0.257845  0.650836  0.711293  1
