# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.50320904
_cell_length_b   6.05292263
_cell_length_c   49.40264011
_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   1645.62656962
_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  0.333296  0.805512  0.290928  1
  Zr  Zr2  1  0.832819  0.670170  0.315320  1
  Zr  Zr3  1  0.176445  0.305512  0.290928  1
  Zr  Zr4  1  0.676923  0.170170  0.315320  1
  Zr  Zr5  1  0.336002  0.530685  0.344583  1
  Zr  Zr6  1  0.835876  0.395065  0.371356  1
  Zr  Zr7  1  0.173740  0.030685  0.344583  1
  Zr  Zr8  1  0.673866  0.895065  0.371356  1
  Zr  Zr9  1  0.336498  0.256256  0.399872  1
  Zr  Zr10  1  0.836019  0.119565  0.427462  1
  Zr  Zr11  1  0.173243  0.756256  0.399872  1
  Zr  Zr12  1  0.673723  0.619565  0.427462  1
  Zr  Zr13  1  0.336080  0.981328  0.455638  1
  Zr  Zr14  1  0.835980  0.844087  0.483426  1
  Zr  Zr15  1  0.173661  0.481328  0.455638  1
  Zr  Zr16  1  0.673761  0.344087  0.483426  1
  Zr  Zr17  1  0.335980  0.706057  0.511515  1
  Zr  Zr18  1  0.836080  0.568816  0.539303  1
  Zr  Zr19  1  0.173761  0.206057  0.511515  1
  Zr  Zr20  1  0.673661  0.068816  0.539303  1
  Zr  Zr21  1  0.336019  0.430579  0.567478  1
  Zr  Zr22  1  0.836498  0.293888  0.595069  1
  Zr  Zr23  1  0.173723  0.930579  0.567478  1
  Zr  Zr24  1  0.673243  0.793888  0.595069  1
  Zr  Zr25  1  0.335876  0.155079  0.623584  1
  Zr  Zr26  1  0.836002  0.019459  0.650357  1
  Zr  Zr27  1  0.173866  0.655079  0.623584  1
  Zr  Zr28  1  0.673740  0.519459  0.650357  1
  Zr  Zr29  1  0.332819  0.879973  0.679621  1
  Zr  Zr30  1  0.833296  0.744632  0.704013  1
  Zr  Zr31  1  0.176923  0.379973  0.679621  1
  Zr  Zr32  1  0.676445  0.244632  0.704013  1
