# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55420749
_cell_length_b   10.81263576
_cell_length_c   46.55011802
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.92546812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr52
_cell_volume   2701.2776147
_cell_formula_units_Z   52
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  0.758134  0.177498  0.286684  1
  Zr  Zr2  1  0.008637  0.666586  0.302832  1
  Zr  Zr3  1  0.308230  0.931540  0.279408  1
  Zr  Zr4  1  0.547479  0.425281  0.294785  1
  Zr  Zr5  1  0.250629  0.157363  0.320017  1
  Zr  Zr6  1  0.495939  0.644598  0.337035  1
  Zr  Zr7  1  0.793178  0.910356  0.311362  1
  Zr  Zr8  1  0.034592  0.400695  0.328296  1
  Zr  Zr9  1  0.739214  0.132282  0.354815  1
  Zr  Zr10  1  0.982926  0.619605  0.371895  1
  Zr  Zr11  1  0.280002  0.888028  0.346391  1
  Zr  Zr12  1  0.522455  0.376268  0.363275  1
  Zr  Zr13  1  0.227079  0.108265  0.389386  1
  Zr  Zr14  1  0.471243  0.596267  0.406516  1
  Zr  Zr15  1  0.767151  0.863718  0.380764  1
  Zr  Zr16  1  0.010616  0.352284  0.397905  1
  Zr  Zr17  1  0.715239  0.084359  0.423780  1
  Zr  Zr18  1  0.959393  0.572531  0.441016  1
  Zr  Zr19  1  0.254756  0.840197  0.415194  1
  Zr  Zr20  1  0.498749  0.328548  0.432380  1
  Zr  Zr21  1  0.203444  0.060628  0.458359  1
  Zr  Zr22  1  0.447468  0.548734  0.475573  1
  Zr  Zr23  1  0.742735  0.816534  0.449740  1
  Zr  Zr24  1  0.986736  0.304683  0.466945  1
  Zr  Zr25  1  0.691515  0.036861  0.492868  1
  Zr  Zr26  1  0.935581  0.525033  0.510097  1
  Zr  Zr27  1  0.230798  0.792772  0.484246  1
  Zr  Zr28  1  0.474863  0.280945  0.501474  1
  Zr  Zr29  1  0.179642  0.013122  0.527397  1
  Zr  Zr30  1  0.423644  0.501271  0.544602  1
  Zr  Zr31  1  0.718911  0.769071  0.518770  1
  Zr  Zr32  1  0.962935  0.257177  0.535984  1
  Zr  Zr33  1  0.667630  0.989257  0.561963  1
  Zr  Zr34  1  0.911622  0.477609  0.579148  1
  Zr  Zr35  1  0.206986  0.745274  0.553326  1
  Zr  Zr36  1  0.451140  0.233446  0.570563  1
  Zr  Zr37  1  0.155763  0.965521  0.596437  1
  Zr  Zr38  1  0.399227  0.454087  0.613579  1
  Zr  Zr39  1  0.695136  0.721538  0.587826  1
  Zr  Zr40  1  0.939300  0.209540  0.604956  1
  Zr  Zr41  1  0.643923  0.941537  0.631068  1
  Zr  Zr42  1  0.886377  0.429778  0.647951  1
  Zr  Zr43  1  0.183453  0.698200  0.622448  1
  Zr  Zr44  1  0.427165  0.185523  0.639528  1
  Zr  Zr45  1  0.131787  0.917110  0.666047  1
  Zr  Zr46  1  0.373201  0.407449  0.682981  1
  Zr  Zr47  1  0.670440  0.673207  0.657307  1
  Zr  Zr48  1  0.915750  0.160442  0.674325  1
  Zr  Zr49  1  0.618899  0.892524  0.699558  1
  Zr  Zr50  1  0.858148  0.386265  0.714934  1
  Zr  Zr51  1  0.157742  0.651219  0.691511  1
  Zr  Zr52  1  0.408245  0.140307  0.707658  1
