# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43037135
_cell_length_b   10.11932888
_cell_length_c   48.44176178
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr56
_cell_volume   2990.39769402
_cell_formula_units_Z   56
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  0.654964  0.432533  0.319724  1
  Zr  Zr2  1  0.437200  0.997099  0.290957  1
  Zr  Zr3  1  0.546791  0.715972  0.304766  1
  Zr  Zr4  1  0.767516  0.158021  0.336854  1
  Zr  Zr5  1  0.046791  0.715972  0.304766  1
  Zr  Zr6  1  0.267516  0.158021  0.336854  1
  Zr  Zr7  1  0.154964  0.432533  0.319724  1
  Zr  Zr8  1  0.937200  0.997099  0.290957  1
  Zr  Zr9  1  0.100204  0.324117  0.382959  1
  Zr  Zr10  1  0.878427  0.880006  0.351398  1
  Zr  Zr11  1  0.988416  0.600263  0.366594  1
  Zr  Zr12  1  0.210528  0.045001  0.398929  1
  Zr  Zr13  1  0.488416  0.600263  0.366594  1
  Zr  Zr14  1  0.710528  0.045001  0.398929  1
  Zr  Zr15  1  0.600204  0.324117  0.382959  1
  Zr  Zr16  1  0.378427  0.880006  0.351398  1
  Zr  Zr17  1  0.543478  0.211639  0.445654  1
  Zr  Zr18  1  0.321046  0.766295  0.413972  1
  Zr  Zr19  1  0.432521  0.489481  0.429820  1
  Zr  Zr20  1  0.653904  0.932745  0.461132  1
  Zr  Zr21  1  0.932521  0.489481  0.429820  1
  Zr  Zr22  1  0.153904  0.932745  0.461132  1
  Zr  Zr23  1  0.043478  0.211639  0.445654  1
  Zr  Zr24  1  0.821046  0.766295  0.413972  1
  Zr  Zr25  1  0.986639  0.098950  0.508121  1
  Zr  Zr26  1  0.764999  0.655174  0.476828  1
  Zr  Zr27  1  0.876028  0.377475  0.492563  1
  Zr  Zr28  1  0.097669  0.821252  0.523857  1
  Zr  Zr29  1  0.376028  0.377475  0.492563  1
  Zr  Zr30  1  0.597669  0.821252  0.523857  1
  Zr  Zr31  1  0.486639  0.098950  0.508121  1
  Zr  Zr32  1  0.264999  0.655174  0.476828  1
  Zr  Zr33  1  0.430146  0.986945  0.570865  1
  Zr  Zr34  1  0.208763  0.543681  0.539552  1
  Zr  Zr35  1  0.319190  0.264786  0.555030  1
  Zr  Zr36  1  0.541621  0.710131  0.586713  1
  Zr  Zr37  1  0.819190  0.264786  0.555030  1
  Zr  Zr38  1  0.041621  0.710131  0.586713  1
  Zr  Zr39  1  0.930146  0.986945  0.570865  1
  Zr  Zr40  1  0.708763  0.543681  0.539552  1
  Zr  Zr41  1  0.874252  0.876163  0.634091  1
  Zr  Zr42  1  0.652139  0.431425  0.601756  1
  Zr  Zr43  1  0.762463  0.152309  0.617726  1
  Zr  Zr44  1  0.984240  0.596420  0.649287  1
  Zr  Zr45  1  0.262463  0.152309  0.617726  1
  Zr  Zr46  1  0.484240  0.596420  0.649287  1
  Zr  Zr47  1  0.374252  0.876163  0.634091  1
  Zr  Zr48  1  0.152139  0.431425  0.601756  1
  Zr  Zr49  1  0.315876  0.760454  0.695919  1
  Zr  Zr50  1  0.095151  0.318405  0.663830  1
  Zr  Zr51  1  0.207704  0.043893  0.680961  1
  Zr  Zr52  1  0.425467  0.479326  0.709727  1
  Zr  Zr53  1  0.707704  0.043893  0.680961  1
  Zr  Zr54  1  0.925467  0.479326  0.709727  1
  Zr  Zr55  1  0.815876  0.760454  0.695919  1
  Zr  Zr56  1  0.595151  0.318405  0.663830  1
