# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16636006
_cell_length_b   11.39442155
_cell_length_c   46.58465264
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr54
_cell_volume   2742.33063052
_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  0.253469  0.375849  0.281871  1
  Zr  Zr2  1  0.253469  0.910275  0.308871  1
  Zr  Zr3  1  0.253469  0.638489  0.293744  1
  Zr  Zr4  1  0.753469  0.335567  0.314653  1
  Zr  Zr5  1  0.753469  0.066982  0.298273  1
  Zr  Zr6  1  0.753469  0.791803  0.284621  1
  Zr  Zr7  1  0.253469  0.176591  0.326477  1
  Zr  Zr8  1  0.253469  0.717158  0.358995  1
  Zr  Zr9  1  0.253469  0.447033  0.344747  1
  Zr  Zr10  1  0.753469  0.142730  0.364481  1
  Zr  Zr11  1  0.753469  0.873465  0.347910  1
  Zr  Zr12  1  0.753469  0.599632  0.330844  1
  Zr  Zr13  1  0.253469  0.985199  0.376074  1
  Zr  Zr14  1  0.253469  0.524879  0.410292  1
  Zr  Zr15  1  0.253469  0.253506  0.393491  1
  Zr  Zr16  1  0.753469  0.950710  0.414666  1
  Zr  Zr17  1  0.753469  0.680737  0.397580  1
  Zr  Zr18  1  0.753469  0.410630  0.381809  1
  Zr  Zr19  1  0.253469  0.793475  0.426378  1
  Zr  Zr20  1  0.253469  0.332282  0.460412  1
  Zr  Zr21  1  0.253469  0.062254  0.443475  1
  Zr  Zr22  1  0.753469  0.758916  0.464874  1
  Zr  Zr23  1  0.753469  0.489516  0.448474  1
  Zr  Zr24  1  0.753469  0.219584  0.431855  1
  Zr  Zr25  1  0.253469  0.601906  0.477101  1
  Zr  Zr26  1  0.253469  0.140734  0.510553  1
  Zr  Zr27  1  0.253469  0.870993  0.493641  1
  Zr  Zr28  1  0.753469  0.567124  0.515405  1
  Zr  Zr29  1  0.753469  0.298038  0.498865  1
  Zr  Zr30  1  0.753469  0.028297  0.481953  1
  Zr  Zr31  1  0.253469  0.410115  0.527632  1
  Zr  Zr32  1  0.253469  0.949447  0.560650  1
  Zr  Zr33  1  0.253469  0.679515  0.544031  1
  Zr  Zr34  1  0.753469  0.375556  0.566127  1
  Zr  Zr35  1  0.753469  0.106777  0.549031  1
  Zr  Zr36  1  0.753469  0.836749  0.532093  1
  Zr  Zr37  1  0.253469  0.218321  0.577839  1
  Zr  Zr38  1  0.253469  0.758401  0.610697  1
  Zr  Zr39  1  0.253469  0.488294  0.594926  1
  Zr  Zr40  1  0.753469  0.183832  0.616432  1
  Zr  Zr41  1  0.753469  0.915525  0.599015  1
  Zr  Zr42  1  0.753469  0.644152  0.582213  1
  Zr  Zr43  1  0.253469  0.026301  0.628025  1
  Zr  Zr44  1  0.253469  0.569399  0.661662  1
  Zr  Zr45  1  0.253469  0.295565  0.644596  1
  Zr  Zr46  1  0.753469  0.992440  0.666029  1
  Zr  Zr47  1  0.753469  0.721997  0.647758  1
  Zr  Zr48  1  0.753469  0.451872  0.633510  1
  Zr  Zr49  1  0.253469  0.833464  0.677853  1
  Zr  Zr50  1  0.253469  0.377228  0.707884  1
  Zr  Zr51  1  0.253469  0.102049  0.694233  1
  Zr  Zr52  1  0.753469  0.793182  0.710635  1
  Zr  Zr53  1  0.753469  0.530542  0.698762  1
  Zr  Zr54  1  0.753469  0.258756  0.683634  1
