# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18765494
_cell_length_b   15.97613390
_cell_length_c   49.66876613
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.21471877
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr48
_cell_volume   2516.56814429
_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  0.963916  0.082388  0.306570  1
  Zr  Zr2  1  0.804070  0.402281  0.323988  1
  Zr  Zr3  1  0.128981  0.752993  0.289544  1
  Zr  Zr4  1  0.551874  0.906968  0.316893  1
  Zr  Zr5  1  0.875872  0.259488  0.281967  1
  Zr  Zr6  1  0.715125  0.581768  0.299052  1
  Zr  Zr7  1  0.481439  0.047447  0.362304  1
  Zr  Zr8  1  0.319407  0.371535  0.381095  1
  Zr  Zr9  1  0.642937  0.724774  0.343827  1
  Zr  Zr10  1  0.067717  0.875285  0.372593  1
  Zr  Zr11  1  0.390373  0.230027  0.336686  1
  Zr  Zr12  1  0.229137  0.552878  0.354521  1
  Zr  Zr13  1  0.996779  0.016693  0.418212  1
  Zr  Zr14  1  0.835158  0.339912  0.436880  1
  Zr  Zr15  1  0.158237  0.693921  0.399793  1
  Zr  Zr16  1  0.582976  0.844640  0.428255  1
  Zr  Zr17  1  0.906156  0.198317  0.391559  1
  Zr  Zr18  1  0.744487  0.521773  0.409959  1
  Zr  Zr19  1  0.512156  0.985808  0.473922  1
  Zr  Zr20  1  0.350593  0.308912  0.492511  1
  Zr  Zr21  1  0.673635  0.662936  0.455492  1
  Zr  Zr22  1  0.098383  0.813672  0.483887  1
  Zr  Zr23  1  0.421512  0.167491  0.446954  1
  Zr  Zr24  1  0.259928  0.490668  0.465468  1
  Zr  Zr25  1  0.027550  0.954858  0.529533  1
  Zr  Zr26  1  0.865967  0.278036  0.548047  1
  Zr  Zr27  1  0.189095  0.631854  0.511115  1
  Zr  Zr28  1  0.613843  0.782591  0.539510  1
  Zr  Zr29  1  0.936886  0.136614  0.502491  1
  Zr  Zr30  1  0.775323  0.459718  0.521079  1
  Zr  Zr31  1  0.542992  0.923753  0.585043  1
  Zr  Zr32  1  0.381323  0.247209  0.603443  1
  Zr  Zr33  1  0.704502  0.600887  0.566746  1
  Zr  Zr34  1  0.129241  0.751605  0.595209  1
  Zr  Zr35  1  0.452320  0.105614  0.558122  1
  Zr  Zr36  1  0.290700  0.428834  0.576789  1
  Zr  Zr37  1  0.058342  0.892648  0.640481  1
  Zr  Zr38  1  0.897105  0.215500  0.658315  1
  Zr  Zr39  1  0.219761  0.570241  0.622409  1
  Zr  Zr40  1  0.644542  0.720753  0.651174  1
  Zr  Zr41  1  0.968072  0.073992  0.613907  1
  Zr  Zr42  1  0.806040  0.398079  0.632698  1
  Zr  Zr43  1  0.572353  0.863758  0.695950  1
  Zr  Zr44  1  0.411607  0.186039  0.713035  1
  Zr  Zr45  1  0.735605  0.538558  0.678109  1
  Zr  Zr46  1  0.158497  0.692533  0.705458  1
  Zr  Zr47  1  0.483409  0.043245  0.671014  1
  Zr  Zr48  1  0.323563  0.363138  0.688432  1
