# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55850906
_cell_length_b   6.07950926
_cell_length_c   49.63864743
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr32
_cell_volume   1677.43917316
_cell_formula_units_Z   32
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  0.332327  0.787973  0.289582  1
  Zr  Zr2  1  0.832768  0.643518  0.315796  1
  Zr  Zr3  1  0.174363  0.287973  0.289582  1
  Zr  Zr4  1  0.673922  0.143518  0.315796  1
  Zr  Zr5  1  0.335713  0.507398  0.344487  1
  Zr  Zr6  1  0.834579  0.366169  0.372023  1
  Zr  Zr7  1  0.170977  0.007398  0.344487  1
  Zr  Zr8  1  0.672111  0.866169  0.372023  1
  Zr  Zr9  1  0.334817  0.226345  0.399925  1
  Zr  Zr10  1  0.834722  0.086183  0.427647  1
  Zr  Zr11  1  0.171873  0.726345  0.399925  1
  Zr  Zr12  1  0.671968  0.586183  0.427647  1
  Zr  Zr13  1  0.334770  0.946109  0.455490  1
  Zr  Zr14  1  0.834748  0.806045  0.483253  1
  Zr  Zr15  1  0.171920  0.446109  0.455490  1
  Zr  Zr16  1  0.671942  0.306045  0.483253  1
  Zr  Zr17  1  0.334748  0.665949  0.511076  1
  Zr  Zr18  1  0.834770  0.525885  0.538839  1
  Zr  Zr19  1  0.171942  0.165949  0.511076  1
  Zr  Zr20  1  0.671920  0.025885  0.538839  1
  Zr  Zr21  1  0.334722  0.385812  0.566682  1
  Zr  Zr22  1  0.834817  0.245649  0.594404  1
  Zr  Zr23  1  0.171968  0.885812  0.566682  1
  Zr  Zr24  1  0.671873  0.745649  0.594404  1
  Zr  Zr25  1  0.334579  0.105825  0.622306  1
  Zr  Zr26  1  0.835713  0.964596  0.649842  1
  Zr  Zr27  1  0.172111  0.605825  0.622306  1
  Zr  Zr28  1  0.670977  0.464596  0.649842  1
  Zr  Zr29  1  0.332768  0.828476  0.678533  1
  Zr  Zr30  1  0.832327  0.684021  0.704747  1
  Zr  Zr31  1  0.173922  0.328476  0.678533  1
  Zr  Zr32  1  0.674363  0.184021  0.704747  1
