# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15810831
_cell_length_b   15.85634829
_cell_length_c   49.59222230
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.22172421
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr48
_cell_volume   2470.7651778
_cell_formula_units_Z   48
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  0.966622  0.082541  0.305153  1
  Zr  Zr2  1  0.805378  0.405428  0.323286  1
  Zr  Zr3  1  0.130802  0.755591  0.289589  1
  Zr  Zr4  1  0.553537  0.909465  0.315137  1
  Zr  Zr5  1  0.877060  0.262955  0.282419  1
  Zr  Zr6  1  0.717100  0.584708  0.298001  1
  Zr  Zr7  1  0.482711  0.050508  0.360693  1
  Zr  Zr8  1  0.320993  0.374143  0.379424  1
  Zr  Zr9  1  0.644821  0.727079  0.343334  1
  Zr  Zr10  1  0.068980  0.878579  0.370862  1
  Zr  Zr11  1  0.392369  0.231945  0.335258  1
  Zr  Zr12  1  0.231042  0.555429  0.352904  1
  Zr  Zr13  1  0.998019  0.019790  0.416651  1
  Zr  Zr14  1  0.836455  0.342980  0.435401  1
  Zr  Zr15  1  0.159738  0.696798  0.398601  1
  Zr  Zr16  1  0.584294  0.847767  0.426901  1
  Zr  Zr17  1  0.907664  0.201149  0.390169  1
  Zr  Zr18  1  0.746179  0.524456  0.408547  1
  Zr  Zr19  1  0.513272  0.989046  0.472596  1
  Zr  Zr20  1  0.351756  0.312141  0.491260  1
  Zr  Zr21  1  0.674980  0.665944  0.454255  1
  Zr  Zr22  1  0.099639  0.816817  0.482797  1
  Zr  Zr23  1  0.422904  0.170462  0.445803  1
  Zr  Zr24  1  0.261382  0.493629  0.464375  1
  Zr  Zr25  1  0.028529  0.958239  0.528466  1
  Zr  Zr26  1  0.867007  0.281406  0.547038  1
  Zr  Zr27  1  0.190272  0.635051  0.510044  1
  Zr  Zr28  1  0.614931  0.785924  0.538586  1
  Zr  Zr29  1  0.938155  0.139727  0.501581  1
  Zr  Zr30  1  0.776639  0.462822  0.520245  1
  Zr  Zr31  1  0.543732  0.927412  0.584294  1
  Zr  Zr32  1  0.382246  0.250719  0.602672  1
  Zr  Zr33  1  0.705616  0.604100  0.565940  1
  Zr  Zr34  1  0.130172  0.755069  0.594240  1
  Zr  Zr35  1  0.453456  0.108888  0.557441  1
  Zr  Zr36  1  0.291892  0.432078  0.576190  1
  Zr  Zr37  1  0.058869  0.896439  0.639937  1
  Zr  Zr38  1  0.897541  0.219923  0.657583  1
  Zr  Zr39  1  0.220931  0.573289  0.621979  1
  Zr  Zr40  1  0.645089  0.724789  0.649507  1
  Zr  Zr41  1  0.968917  0.077725  0.613418  1
  Zr  Zr42  1  0.807200  0.401359  0.632148  1
  Zr  Zr43  1  0.572811  0.867160  0.694840  1
  Zr  Zr44  1  0.412851  0.188913  0.710422  1
  Zr  Zr45  1  0.736374  0.542403  0.677704  1
  Zr  Zr46  1  0.159109  0.696277  0.703253  1
  Zr  Zr47  1  0.484533  0.046440  0.669555  1
  Zr  Zr48  1  0.323289  0.369327  0.687688  1
