# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07277983
_cell_length_b   7.87684545
_cell_length_c   47.53578603
_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   Zr36
_cell_volume   1801.93977465
_cell_formula_units_Z   36
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  0.987515  0.413404  0.282979  1
  Zr  Zr2  1  0.203148  0.849054  0.305309  1
  Zr  Zr3  1  0.602101  0.641695  0.292289  1
  Zr  Zr4  1  0.808247  0.066403  0.319213  1
  Zr  Zr5  1  0.421061  0.293353  0.326864  1
  Zr  Zr6  1  0.626706  0.727671  0.354861  1
  Zr  Zr7  1  0.021543  0.511365  0.343721  1
  Zr  Zr8  1  0.235754  0.955849  0.367404  1
  Zr  Zr9  1  0.836249  0.174037  0.380710  1
  Zr  Zr10  1  0.044633  0.616864  0.405984  1
  Zr  Zr11  1  0.441544  0.391604  0.392022  1
  Zr  Zr12  1  0.648478  0.835757  0.417436  1
  Zr  Zr13  1  0.250731  0.056053  0.430880  1
  Zr  Zr14  1  0.458863  0.497808  0.455278  1
  Zr  Zr15  1  0.854632  0.277109  0.443003  1
  Zr  Zr16  1  0.060309  0.717701  0.468497  1
  Zr  Zr17  1  0.664336  0.938461  0.480565  1
  Zr  Zr18  1  0.869912  0.378832  0.505695  1
  Zr  Zr19  1  0.267633  0.160214  0.493504  1
  Zr  Zr20  1  0.473209  0.600586  0.518634  1
  Zr  Zr21  1  0.077236  0.821345  0.530702  1
  Zr  Zr22  1  0.282913  0.261937  0.556195  1
  Zr  Zr23  1  0.678682  0.041239  0.543921  1
  Zr  Zr24  1  0.886814  0.482994  0.568319  1
  Zr  Zr25  1  0.489067  0.703290  0.581762  1
  Zr  Zr26  1  0.696001  0.147442  0.607177  1
  Zr  Zr27  1  0.092912  0.922182  0.593215  1
  Zr  Zr28  1  0.301296  0.365010  0.618489  1
  Zr  Zr29  1  0.901791  0.583197  0.631795  1
  Zr  Zr30  1  0.116002  0.027681  0.655478  1
  Zr  Zr31  1  0.510839  0.811376  0.644338  1
  Zr  Zr32  1  0.716484  0.245693  0.672335  1
  Zr  Zr33  1  0.329298  0.472644  0.679986  1
  Zr  Zr34  1  0.535444  0.897352  0.706910  1
  Zr  Zr35  1  0.934396  0.689993  0.693890  1
  Zr  Zr36  1  0.150030  0.125642  0.716219  1
