# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13417983
_cell_length_b   11.50358304
_cell_length_c   46.81881972
_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   2765.18803536
_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  0.753260  0.375635  0.283190  1
  Zr  Zr2  1  0.753260  0.908559  0.310548  1
  Zr  Zr3  1  0.753260  0.639350  0.295520  1
  Zr  Zr4  1  0.253260  0.336135  0.316296  1
  Zr  Zr5  1  0.253260  0.068740  0.300382  1
  Zr  Zr6  1  0.253260  0.796991  0.286094  1
  Zr  Zr7  1  0.753260  0.176411  0.327527  1
  Zr  Zr8  1  0.753260  0.716493  0.360730  1
  Zr  Zr9  1  0.753260  0.446442  0.345728  1
  Zr  Zr10  1  0.253260  0.142466  0.365980  1
  Zr  Zr11  1  0.253260  0.873418  0.349004  1
  Zr  Zr12  1  0.253260  0.602287  0.331992  1
  Zr  Zr13  1  0.753260  0.986171  0.377536  1
  Zr  Zr14  1  0.753260  0.525611  0.411715  1
  Zr  Zr15  1  0.753260  0.254859  0.394965  1
  Zr  Zr16  1  0.253260  0.949865  0.416297  1
  Zr  Zr17  1  0.253260  0.680651  0.399480  1
  Zr  Zr18  1  0.253260  0.411362  0.383255  1
  Zr  Zr19  1  0.753260  0.794428  0.427837  1
  Zr  Zr20  1  0.753260  0.332727  0.461827  1
  Zr  Zr21  1  0.753260  0.063133  0.444832  1
  Zr  Zr22  1  0.253260  0.757702  0.466604  1
  Zr  Zr23  1  0.253260  0.488427  0.450133  1
  Zr  Zr24  1  0.253260  0.218895  0.433376  1
  Zr  Zr25  1  0.753260  0.602312  0.478459  1
  Zr  Zr26  1  0.753260  0.140618  0.511973  1
  Zr  Zr27  1  0.753260  0.871336  0.495032  1
  Zr  Zr28  1  0.253260  0.565179  0.517031  1
  Zr  Zr29  1  0.253260  0.296156  0.500458  1
  Zr  Zr30  1  0.253260  0.026873  0.483518  1
  Zr  Zr31  1  0.753260  0.409790  0.528887  1
  Zr  Zr32  1  0.753260  0.948596  0.562114  1
  Zr  Zr33  1  0.753260  0.679064  0.545358  1
  Zr  Zr34  1  0.253260  0.373064  0.567653  1
  Zr  Zr35  1  0.253260  0.104358  0.550659  1
  Zr  Zr36  1  0.253260  0.834764  0.533664  1
  Zr  Zr37  1  0.753260  0.217627  0.579193  1
  Zr  Zr38  1  0.753260  0.756130  0.612236  1
  Zr  Zr39  1  0.753260  0.486840  0.596010  1
  Zr  Zr40  1  0.253260  0.181321  0.617955  1
  Zr  Zr41  1  0.253260  0.912633  0.600525  1
  Zr  Zr42  1  0.253260  0.641880  0.583776  1
  Zr  Zr43  1  0.753260  0.025025  0.629511  1
  Zr  Zr44  1  0.753260  0.565205  0.663499  1
  Zr  Zr45  1  0.753260  0.294073  0.646486  1
  Zr  Zr46  1  0.253260  0.991081  0.667964  1
  Zr  Zr47  1  0.253260  0.721050  0.649763  1
  Zr  Zr48  1  0.253260  0.450998  0.634761  1
  Zr  Zr49  1  0.753260  0.831357  0.679194  1
  Zr  Zr50  1  0.753260  0.370501  0.709396  1
  Zr  Zr51  1  0.753260  0.098751  0.695108  1
  Zr  Zr52  1  0.253260  0.791856  0.712301  1
  Zr  Zr53  1  0.253260  0.528141  0.699971  1
  Zr  Zr54  1  0.253260  0.258932  0.684942  1
