# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72187567
_cell_length_b   8.36782310
_cell_length_c   48.51543587
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.55967288
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr64
_cell_volume   3082.93908238
_cell_formula_units_Z   64
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  0.651408  0.726479  0.303271  1
  Zr  Zr2  1  0.151408  0.226479  0.303271  1
  Zr  Zr3  1  0.276408  0.851479  0.280629  1
  Zr  Zr4  1  0.776408  0.351479  0.280629  1
  Zr  Zr5  1  0.526408  0.101479  0.280629  1
  Zr  Zr6  1  0.026408  0.601479  0.280629  1
  Zr  Zr7  1  0.901408  0.976479  0.303271  1
  Zr  Zr8  1  0.401408  0.476479  0.303271  1
  Zr  Zr9  1  0.526408  0.601479  0.362648  1
  Zr  Zr10  1  0.026408  0.101479  0.362648  1
  Zr  Zr11  1  0.151408  0.726479  0.339154  1
  Zr  Zr12  1  0.651408  0.226479  0.339154  1
  Zr  Zr13  1  0.401408  0.976479  0.339154  1
  Zr  Zr14  1  0.901408  0.476479  0.339154  1
  Zr  Zr15  1  0.776408  0.851479  0.362648  1
  Zr  Zr16  1  0.276408  0.351479  0.362648  1
  Zr  Zr17  1  0.401408  0.476479  0.422082  1
  Zr  Zr18  1  0.901408  0.976479  0.422082  1
  Zr  Zr19  1  0.026408  0.601479  0.398886  1
  Zr  Zr20  1  0.526408  0.101479  0.398886  1
  Zr  Zr21  1  0.276408  0.851479  0.398886  1
  Zr  Zr22  1  0.776408  0.351479  0.398886  1
  Zr  Zr23  1  0.651408  0.726479  0.422082  1
  Zr  Zr24  1  0.151408  0.226479  0.422082  1
  Zr  Zr25  1  0.276408  0.351479  0.481542  1
  Zr  Zr26  1  0.776408  0.851479  0.481542  1
  Zr  Zr27  1  0.901408  0.476479  0.458426  1
  Zr  Zr28  1  0.401408  0.976479  0.458426  1
  Zr  Zr29  1  0.151408  0.726479  0.458426  1
  Zr  Zr30  1  0.651408  0.226479  0.458426  1
  Zr  Zr31  1  0.526408  0.601479  0.481542  1
  Zr  Zr32  1  0.026408  0.101479  0.481542  1
  Zr  Zr33  1  0.151408  0.226479  0.541033  1
  Zr  Zr34  1  0.651408  0.726479  0.541033  1
  Zr  Zr35  1  0.776408  0.351479  0.517917  1
  Zr  Zr36  1  0.276408  0.851479  0.517917  1
  Zr  Zr37  1  0.026408  0.601479  0.517917  1
  Zr  Zr38  1  0.526408  0.101479  0.517917  1
  Zr  Zr39  1  0.401408  0.476479  0.541033  1
  Zr  Zr40  1  0.901408  0.976479  0.541033  1
  Zr  Zr41  1  0.026408  0.101479  0.600573  1
  Zr  Zr42  1  0.526408  0.601479  0.600573  1
  Zr  Zr43  1  0.651408  0.226479  0.577377  1
  Zr  Zr44  1  0.151408  0.726479  0.577377  1
  Zr  Zr45  1  0.901408  0.476479  0.577377  1
  Zr  Zr46  1  0.401408  0.976479  0.577377  1
  Zr  Zr47  1  0.276408  0.351479  0.600573  1
  Zr  Zr48  1  0.776408  0.851479  0.600573  1
  Zr  Zr49  1  0.901408  0.976479  0.660305  1
  Zr  Zr50  1  0.401408  0.476479  0.660305  1
  Zr  Zr51  1  0.526408  0.101479  0.636811  1
  Zr  Zr52  1  0.026408  0.601479  0.636811  1
  Zr  Zr53  1  0.776408  0.351479  0.636811  1
  Zr  Zr54  1  0.276408  0.851479  0.636811  1
  Zr  Zr55  1  0.151408  0.226479  0.660305  1
  Zr  Zr56  1  0.651408  0.726479  0.660305  1
  Zr  Zr57  1  0.776408  0.851479  0.718829  1
  Zr  Zr58  1  0.276408  0.351479  0.718829  1
  Zr  Zr59  1  0.401408  0.976479  0.696188  1
  Zr  Zr60  1  0.901408  0.476479  0.696188  1
  Zr  Zr61  1  0.651408  0.226479  0.696188  1
  Zr  Zr62  1  0.151408  0.726479  0.696188  1
  Zr  Zr63  1  0.026408  0.101479  0.718829  1
  Zr  Zr64  1  0.526408  0.601479  0.718829  1
