# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.56385368
_cell_length_b   6.07698536
_cell_length_c   46.99981652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.49123203
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr60
_cell_volume   3072.83087147
_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  0.217111  0.695090  0.283924  1
  Zr  Zr2  1  0.497241  0.641617  0.298175  1
  Zr  Zr3  1  0.776961  0.584544  0.312614  1
  Zr  Zr4  1  0.153270  0.240086  0.273377  1
  Zr  Zr5  1  0.431190  0.185310  0.286635  1
  Zr  Zr6  1  0.709913  0.127234  0.301041  1
  Zr  Zr7  1  0.054429  0.532458  0.328892  1
  Zr  Zr8  1  0.335978  0.472614  0.344233  1
  Zr  Zr9  1  0.616278  0.417653  0.358980  1
  Zr  Zr10  1  0.986883  0.075483  0.315823  1
  Zr  Zr11  1  0.268684  0.018018  0.332128  1
  Zr  Zr12  1  0.549570  0.961535  0.346907  1
  Zr  Zr13  1  0.896101  0.361573  0.374143  1
  Zr  Zr14  1  0.176117  0.304941  0.389713  1
  Zr  Zr15  1  0.456476  0.248853  0.404631  1
  Zr  Zr16  1  0.828374  0.906777  0.361769  1
  Zr  Zr17  1  0.108085  0.850679  0.377179  1
  Zr  Zr18  1  0.388702  0.794280  0.392397  1
  Zr  Zr19  1  0.736397  0.193141  0.419638  1
  Zr  Zr20  1  0.016178  0.137109  0.434943  1
  Zr  Zr21  1  0.296516  0.080871  0.450203  1
  Zr  Zr22  1  0.668658  0.738179  0.407492  1
  Zr  Zr23  1  0.948248  0.682584  0.422592  1
  Zr  Zr24  1  0.228512  0.626564  0.437847  1
  Zr  Zr25  1  0.576568  0.025028  0.465269  1
  Zr  Zr26  1  0.856403  0.969088  0.480396  1
  Zr  Zr27  1  0.136429  0.912959  0.495618  1
  Zr  Zr28  1  0.508676  0.570226  0.453022  1
  Zr  Zr29  1  0.788513  0.514267  0.468161  1
  Zr  Zr30  1  0.068481  0.458449  0.483286  1
  Zr  Zr31  1  0.416646  0.856888  0.510820  1
  Zr  Zr32  1  0.696614  0.801070  0.525945  1
  Zr  Zr33  1  0.976451  0.745111  0.541084  1
  Zr  Zr34  1  0.348697  0.402378  0.498487  1
  Zr  Zr35  1  0.628723  0.346249  0.513710  1
  Zr  Zr36  1  0.908559  0.290309  0.528837  1
  Zr  Zr37  1  0.256614  0.688773  0.556259  1
  Zr  Zr38  1  0.536879  0.632753  0.571514  1
  Zr  Zr39  1  0.816468  0.577158  0.586614  1
  Zr  Zr40  1  0.188610  0.234466  0.543902  1
  Zr  Zr41  1  0.468948  0.178228  0.559162  1
  Zr  Zr42  1  0.748730  0.122196  0.574468  1
  Zr  Zr43  1  0.096424  0.521057  0.601708  1
  Zr  Zr44  1  0.377042  0.464658  0.616927  1
  Zr  Zr45  1  0.656752  0.408560  0.632336  1
  Zr  Zr46  1  0.028651  0.066484  0.589475  1
  Zr  Zr47  1  0.309010  0.010396  0.604392  1
  Zr  Zr48  1  0.589026  0.953764  0.619962  1
  Zr  Zr49  1  0.935556  0.353802  0.647199  1
  Zr  Zr50  1  0.216443  0.297319  0.661977  1
  Zr  Zr51  1  0.498243  0.239854  0.678283  1
  Zr  Zr52  1  0.868848  0.897684  0.635126  1
  Zr  Zr53  1  0.149148  0.842723  0.649873  1
  Zr  Zr54  1  0.430697  0.782879  0.665214  1
  Zr  Zr55  1  0.775213  0.188103  0.693064  1
  Zr  Zr56  1  0.053936  0.130027  0.707470  1
  Zr  Zr57  1  0.331856  0.075251  0.720729  1
  Zr  Zr58  1  0.708165  0.730793  0.681492  1
  Zr  Zr59  1  0.987885  0.673720  0.695931  1
  Zr  Zr60  1  0.268016  0.620247  0.710181  1
