# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20383915
_cell_length_b   10.91204340
_cell_length_c   48.60869387
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.51788848
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr32
_cell_volume   1680.79303604
_cell_formula_units_Z   32
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  0.003116  0.998972  0.315303  1
  Zr  Zr2  1  0.241125  0.523399  0.288730  1
  Zr  Zr3  1  0.633265  0.739009  0.320450  1
  Zr  Zr4  1  0.868794  0.268920  0.293512  1
  Zr  Zr5  1  0.538614  0.928001  0.370749  1
  Zr  Zr6  1  0.771766  0.461895  0.343120  1
  Zr  Zr7  1  0.166793  0.671967  0.376148  1
  Zr  Zr8  1  0.399383  0.207079  0.349119  1
  Zr  Zr9  1  0.071872  0.861391  0.426656  1
  Zr  Zr10  1  0.304989  0.395263  0.399172  1
  Zr  Zr11  1  0.699896  0.605652  0.431832  1
  Zr  Zr12  1  0.933649  0.138265  0.404157  1
  Zr  Zr13  1  0.605237  0.794539  0.482382  1
  Zr  Zr14  1  0.838645  0.327802  0.454707  1
  Zr  Zr15  1  0.233404  0.538507  0.487398  1
  Zr  Zr16  1  0.466855  0.071688  0.459685  1
  Zr  Zr17  1  0.138579  0.727718  0.537994  1
  Zr  Zr18  1  0.372029  0.260900  0.510282  1
  Zr  Zr19  1  0.766788  0.471604  0.542972  1
  Zr  Zr20  1  1.000197  0.004867  0.515297  1
  Zr  Zr21  1  0.671784  0.661142  0.593523  1
  Zr  Zr22  1  0.905537  0.193754  0.565848  1
  Zr  Zr23  1  0.300444  0.404143  0.598507  1
  Zr  Zr24  1  0.533562  0.938015  0.571024  1
  Zr  Zr25  1  0.206050  0.592328  0.648561  1
  Zr  Zr26  1  0.438640  0.127439  0.621532  1
  Zr  Zr27  1  0.833667  0.337511  0.654560  1
  Zr  Zr28  1  0.066820  0.871405  0.626930  1
  Zr  Zr29  1  0.736639  0.530487  0.704168  1
  Zr  Zr30  1  0.972169  0.060397  0.677230  1
  Zr  Zr31  1  0.364309  0.276007  0.708949  1
  Zr  Zr32  1  0.602318  0.800434  0.682376  1
