# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20377549
_cell_length_b   10.91213251
_cell_length_c   48.60950164
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.48211534
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr32
_cell_volume   1680.80127852
_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  1.002031  0.998971  0.315296  1
  Zr  Zr2  1  0.764021  0.523398  0.288723  1
  Zr  Zr3  1  0.371880  0.739006  0.320444  1
  Zr  Zr4  1  0.136349  0.268917  0.293506  1
  Zr  Zr5  1  0.466532  0.927999  0.370742  1
  Zr  Zr6  1  0.233380  0.461893  0.343113  1
  Zr  Zr7  1  0.838351  0.671963  0.376141  1
  Zr  Zr8  1  0.605762  0.207075  0.349112  1
  Zr  Zr9  1  0.933273  0.861388  0.426648  1
  Zr  Zr10  1  0.700156  0.395260  0.399165  1
  Zr  Zr11  1  0.305248  0.605648  0.431825  1
  Zr  Zr12  1  0.071495  0.138261  0.404150  1
  Zr  Zr13  1  0.399909  0.794535  0.482374  1
  Zr  Zr14  1  0.166500  0.327799  0.454699  1
  Zr  Zr15  1  0.771740  0.538502  0.487390  1
  Zr  Zr16  1  0.538289  0.071683  0.459678  1
  Zr  Zr17  1  0.866568  0.727714  0.537985  1
  Zr  Zr18  1  0.633117  0.260895  0.510273  1
  Zr  Zr19  1  0.238357  0.471598  0.542964  1
  Zr  Zr20  1  0.004948  0.004862  0.515289  1
  Zr  Zr21  1  0.333362  0.661136  0.593513  1
  Zr  Zr22  1  0.099609  0.193749  0.565838  1
  Zr  Zr23  1  0.704701  0.404137  0.598499  1
  Zr  Zr24  1  0.471584  0.938009  0.571015  1
  Zr  Zr25  1  0.799095  0.592322  0.648551  1
  Zr  Zr26  1  0.566506  0.127433  0.621522  1
  Zr  Zr27  1  0.171477  0.337504  0.654551  1
  Zr  Zr28  1  0.938325  0.871398  0.626922  1
  Zr  Zr29  1  0.268508  0.530480  0.704158  1
  Zr  Zr30  1  0.032977  0.060391  0.677220  1
  Zr  Zr31  1  0.640836  0.275999  0.708940  1
  Zr  Zr32  1  0.402826  0.800426  0.682367  1
