# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.52504159
_cell_length_b   6.11554203
_cell_length_c   46.82938361
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.63588662
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr60
_cell_volume   3073.81778528
_cell_formula_units_Z   60
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  0.217665  0.715658  0.284598  1
  Zr  Zr2  1  0.494851  0.666063  0.298996  1
  Zr  Zr3  1  0.777171  0.605348  0.313060  1
  Zr  Zr4  1  0.153572  0.259476  0.274741  1
  Zr  Zr5  1  0.428085  0.199971  0.287686  1
  Zr  Zr6  1  0.704174  0.143989  0.302705  1
  Zr  Zr7  1  0.054201  0.550572  0.329633  1
  Zr  Zr8  1  0.334377  0.490751  0.344207  1
  Zr  Zr9  1  0.614310  0.437460  0.359244  1
  Zr  Zr10  1  0.983151  0.086867  0.316767  1
  Zr  Zr11  1  0.264100  0.038158  0.333262  1
  Zr  Zr12  1  0.546214  0.980675  0.348396  1
  Zr  Zr13  1  0.893454  0.380974  0.374545  1
  Zr  Zr14  1  0.173306  0.326248  0.390646  1
  Zr  Zr15  1  0.452964  0.270971  0.405448  1
  Zr  Zr16  1  0.824476  0.926401  0.363462  1
  Zr  Zr17  1  0.105438  0.869724  0.378080  1
  Zr  Zr18  1  0.385640  0.813686  0.393308  1
  Zr  Zr19  1  0.732224  0.215817  0.420557  1
  Zr  Zr20  1  0.011923  0.159628  0.435708  1
  Zr  Zr21  1  0.292255  0.104399  0.451047  1
  Zr  Zr22  1  0.665255  0.758108  0.408594  1
  Zr  Zr23  1  0.944812  0.703726  0.423576  1
  Zr  Zr24  1  0.224720  0.649637  0.438861  1
  Zr  Zr25  1  0.571959  0.049230  0.466182  1
  Zr  Zr26  1  0.851660  0.993924  0.481291  1
  Zr  Zr27  1  0.131418  0.938719  0.496505  1
  Zr  Zr28  1  0.504473  0.593862  0.454079  1
  Zr  Zr29  1  0.784340  0.538255  0.469182  1
  Zr  Zr30  1  0.064160  0.482916  0.484212  1
  Zr  Zr31  1  0.411257  0.883665  0.511782  1
  Zr  Zr32  1  0.691078  0.828325  0.526812  1
  Zr  Zr33  1  0.970944  0.772718  0.541915  1
  Zr  Zr34  1  0.344000  0.427861  0.499489  1
  Zr  Zr35  1  0.623758  0.372657  0.514704  1
  Zr  Zr36  1  0.903458  0.317351  0.529813  1
  Zr  Zr37  1  0.250697  0.716943  0.557133  1
  Zr  Zr38  1  0.530606  0.662854  0.572418  1
  Zr  Zr39  1  0.810163  0.608472  0.587401  1
  Zr  Zr40  1  0.183163  0.262181  0.544948  1
  Zr  Zr41  1  0.463495  0.206952  0.560287  1
  Zr  Zr42  1  0.743194  0.150763  0.575437  1
  Zr  Zr43  1  0.089777  0.552894  0.602686  1
  Zr  Zr44  1  0.369979  0.496857  0.617914  1
  Zr  Zr45  1  0.650941  0.440180  0.632532  1
  Zr  Zr46  1  0.022453  0.095609  0.590547  1
  Zr  Zr47  1  0.302111  0.040333  0.605348  1
  Zr  Zr48  1  0.581964  0.985606  0.621449  1
  Zr  Zr49  1  0.929204  0.385905  0.647598  1
  Zr  Zr50  1  0.211318  0.328422  0.662732  1
  Zr  Zr51  1  0.492266  0.279713  0.679227  1
  Zr  Zr52  1  0.861108  0.929120  0.636751  1
  Zr  Zr53  1  0.141041  0.875829  0.651787  1
  Zr  Zr54  1  0.421216  0.816008  0.666361  1
  Zr  Zr55  1  0.771244  0.222591  0.693289  1
  Zr  Zr56  1  0.047333  0.166609  0.708309  1
  Zr  Zr57  1  0.321846  0.107105  0.721253  1
  Zr  Zr58  1  0.698246  0.761233  0.682934  1
  Zr  Zr59  1  0.980566  0.700517  0.696998  1
  Zr  Zr60  1  0.257753  0.650922  0.711396  1
