# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09510187
_cell_length_b   11.05633758
_cell_length_c   49.30770113
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr54
_cell_volume   2707.32703244
_cell_formula_units_Z   54
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  0.102676  0.799503  0.273534  1
  Zr  Zr2  1  0.249621  0.097458  0.286783  1
  Zr  Zr3  1  0.407431  0.414177  0.297863  1
  Zr  Zr4  1  0.683994  0.964342  0.268279  1
  Zr  Zr5  1  0.834448  0.266208  0.304852  1
  Zr  Zr6  1  0.985504  0.567397  0.318462  1
  Zr  Zr7  1  0.563990  0.724843  0.308947  1
  Zr  Zr8  1  0.708487  0.015246  0.328213  1
  Zr  Zr9  1  0.881454  0.358462  0.365897  1
  Zr  Zr10  1  0.137185  0.870792  0.333362  1
  Zr  Zr11  1  0.295730  0.188674  0.345843  1
  Zr  Zr12  1  0.452936  0.502807  0.357193  1
  Zr  Zr13  1  0.029266  0.654115  0.380206  1
  Zr  Zr14  1  0.181801  0.959651  0.393655  1
  Zr  Zr15  1  0.339199  0.274588  0.406153  1
  Zr  Zr16  1  0.602464  0.802048  0.371936  1
  Zr  Zr17  1  0.752887  0.103465  0.386769  1
  Zr  Zr18  1  0.924349  0.443313  0.427041  1
  Zr  Zr19  1  0.494496  0.585123  0.418646  1
  Zr  Zr20  1  0.646055  0.888545  0.432384  1
  Zr  Zr21  1  0.795342  0.187447  0.446443  1
  Zr  Zr22  1  0.072895  0.740659  0.440907  1
  Zr  Zr23  1  0.225032  0.045248  0.454221  1
  Zr  Zr24  1  0.381321  0.357904  0.466886  1
  Zr  Zr25  1  0.967148  0.528087  0.487720  1
  Zr  Zr26  1  0.115916  0.825894  0.501549  1
  Zr  Zr27  1  0.267704  0.129751  0.514974  1
  Zr  Zr28  1  0.537246  0.669830  0.479500  1
  Zr  Zr29  1  0.689034  0.973687  0.492926  1
  Zr  Zr30  1  0.837802  0.271494  0.506754  1
  Zr  Zr31  1  0.423629  0.441676  0.527588  1
  Zr  Zr32  1  0.579918  0.754333  0.540254  1
  Zr  Zr33  1  0.732055  0.058922  0.553568  1
  Zr  Zr34  1  0.009608  0.612134  0.548031  1
  Zr  Zr35  1  0.158895  0.911036  0.562090  1
  Zr  Zr36  1  0.310454  0.214457  0.575829  1
  Zr  Zr37  1  0.880601  0.356268  0.567433  1
  Zr  Zr38  1  0.052063  0.696115  0.607706  1
  Zr  Zr39  1  0.202486  0.997533  0.622539  1
  Zr  Zr40  1  0.465751  0.524993  0.588321  1
  Zr  Zr41  1  0.623149  0.839930  0.600819  1
  Zr  Zr42  1  0.775684  0.145466  0.614268  1
  Zr  Zr43  1  0.352014  0.296774  0.637281  1
  Zr  Zr44  1  0.509219  0.610907  0.648631  1
  Zr  Zr45  1  0.667765  0.928789  0.661112  1
  Zr  Zr46  1  0.923496  0.441119  0.628577  1
  Zr  Zr47  1  0.096462  0.784335  0.666261  1
  Zr  Zr48  1  0.240960  0.074738  0.685527  1
  Zr  Zr49  1  0.819446  0.232184  0.676012  1
  Zr  Zr50  1  0.970502  0.533373  0.689622  1
  Zr  Zr51  1  0.120956  0.835239  0.726196  1
  Zr  Zr52  1  0.397518  0.385404  0.696611  1
  Zr  Zr53  1  0.555329  0.702123  0.707692  1
  Zr  Zr54  1  0.702274  1.000078  0.720941  1
