# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54861309
_cell_length_b   6.11218931
_cell_length_c   46.24218879
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.06508526
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr26
_cell_volume   1396.5252242
_cell_formula_units_Z   26
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  0.916123  0.945842  0.306596  1
  Zr  Zr2  1  0.337572  0.501682  0.292961  1
  Zr  Zr3  1  0.362993  0.866053  0.340418  1
  Zr  Zr4  1  0.779364  0.396485  0.322814  1
  Zr  Zr5  1  0.810648  0.771374  0.372982  1
  Zr  Zr6  1  0.239820  0.319847  0.357348  1
  Zr  Zr7  1  0.265988  0.686707  0.407381  1
  Zr  Zr8  1  0.699107  0.229052  0.390639  1
  Zr  Zr9  1  0.720637  0.598743  0.440433  1
  Zr  Zr10  1  0.154947  0.141252  0.423821  1
  Zr  Zr11  1  0.176931  0.511275  0.473955  1
  Zr  Zr12  1  0.612229  0.055606  0.457436  1
  Zr  Zr13  1  0.633163  0.424732  0.507433  1
  Zr  Zr14  1  0.068103  0.967300  0.490676  1
  Zr  Zr15  1  0.089037  0.336426  0.540673  1
  Zr  Zr16  1  0.524334  0.880758  0.524154  1
  Zr  Zr17  1  0.546319  0.250780  0.574289  1
  Zr  Zr18  1  0.980629  0.793290  0.557677  1
  Zr  Zr19  1  1.002159  0.162980  0.607470  1
  Zr  Zr20  1  0.435278  0.705325  0.590728  1
  Zr  Zr21  1  0.461446  0.072186  0.640761  1
  Zr  Zr22  1  0.890618  0.620658  0.625128  1
  Zr  Zr23  1  0.921902  0.995547  0.675296  1
  Zr  Zr24  1  0.338273  0.525979  0.657692  1
  Zr  Zr25  1  0.363694  0.890351  0.705149  1
  Zr  Zr26  1  0.785143  0.446190  0.691514  1
