# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88346992
_cell_length_b   8.34980419
_cell_length_c   46.35923197
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.64974848
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr36
_cell_volume   1811.09055712
_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  0.454622  0.536789  0.282523  1
  Zr  Zr2  1  0.670361  0.971616  0.305543  1
  Zr  Zr3  1  0.066058  0.761570  0.294080  1
  Zr  Zr4  1  0.279482  0.190412  0.316551  1
  Zr  Zr5  1  0.895045  0.420697  0.327579  1
  Zr  Zr6  1  0.125121  0.880888  0.356385  1
  Zr  Zr7  1  0.512163  0.654534  0.343590  1
  Zr  Zr8  1  0.738197  0.107336  0.367789  1
  Zr  Zr9  1  0.349682  0.330523  0.378799  1
  Zr  Zr10  1  0.578540  0.788027  0.405892  1
  Zr  Zr11  1  0.961767  0.554689  0.392101  1
  Zr  Zr12  1  0.193164  0.017381  0.418390  1
  Zr  Zr13  1  0.804374  0.240150  0.430524  1
  Zr  Zr14  1  0.030364  0.692193  0.454921  1
  Zr  Zr15  1  0.416255  0.464042  0.442210  1
  Zr  Zr16  1  0.644829  0.921124  0.468135  1
  Zr  Zr17  1  0.258794  0.149155  0.480968  1
  Zr  Zr18  1  0.483981  0.599738  0.505253  1
  Zr  Zr19  1  0.871893  0.375451  0.493321  1
  Zr  Zr20  1  0.097080  0.826034  0.517606  1
  Zr  Zr21  1  0.711044  0.054065  0.530439  1
  Zr  Zr22  1  0.939619  0.511147  0.556364  1
  Zr  Zr23  1  0.325510  0.282996  0.543653  1
  Zr  Zr24  1  0.551500  0.735039  0.568050  1
  Zr  Zr25  1  0.162709  0.957808  0.580184  1
  Zr  Zr26  1  0.394106  0.420500  0.606473  1
  Zr  Zr27  1  0.777334  0.187162  0.592683  1
  Zr  Zr28  1  0.006192  0.644666  0.619775  1
  Zr  Zr29  1  0.617677  0.867853  0.630785  1
  Zr  Zr30  1  0.843710  0.320655  0.654984  1
  Zr  Zr31  1  0.230753  0.094301  0.642189  1
  Zr  Zr32  1  0.460828  0.554492  0.670995  1
  Zr  Zr33  1  0.076392  0.784777  0.682024  1
  Zr  Zr34  1  0.289816  0.213619  0.704494  1
  Zr  Zr35  1  0.685512  1.003573  0.693031  1
  Zr  Zr36  1  0.901252  0.438400  0.716051  1
