# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54284955
_cell_length_b   6.04350808
_cell_length_c   46.44595715
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.35027266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr26
_cell_volume   1381.93607776
_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  0.157330  0.477407  0.293673  1
  Zr  Zr2  1  0.039285  0.928928  0.306996  1
  Zr  Zr3  1  0.614284  0.381423  0.321991  1
  Zr  Zr4  1  0.504575  0.846915  0.338942  1
  Zr  Zr5  1  0.075585  0.299207  0.356322  1
  Zr  Zr6  1  0.958240  0.751376  0.372216  1
  Zr  Zr7  1  0.527092  0.207015  0.389329  1
  Zr  Zr8  1  0.417538  0.663618  0.406175  1
  Zr  Zr9  1  0.982670  0.117613  0.423045  1
  Zr  Zr10  1  0.872761  0.573185  0.439553  1
  Zr  Zr11  1  0.437935  0.028480  0.456499  1
  Zr  Zr12  1  0.328381  0.483901  0.473214  1
  Zr  Zr13  1  0.893373  0.938771  0.490071  1
  Zr  Zr14  1  0.783846  0.394471  0.506725  1
  Zr  Zr15  1  0.348838  0.849341  0.523582  1
  Zr  Zr16  1  0.239284  0.304763  0.540298  1
  Zr  Zr17  1  0.804459  0.760057  0.557244  1
  Zr  Zr18  1  0.694549  0.215629  0.573751  1
  Zr  Zr19  1  0.259682  0.669624  0.590622  1
  Zr  Zr20  1  0.150127  0.126227  0.607468  1
  Zr  Zr21  1  0.718979  0.581866  0.624581  1
  Zr  Zr22  1  0.601634  0.034036  0.640474  1
  Zr  Zr23  1  0.172644  0.486327  0.657855  1
  Zr  Zr24  1  0.062935  0.951819  0.674805  1
  Zr  Zr25  1  0.637935  0.404314  0.689800  1
  Zr  Zr26  1  0.519889  0.855835  0.703124  1
