# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18587563
_cell_length_b   16.37612154
_cell_length_c   47.67865833
_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   Zr48
_cell_volume   2487.50462673
_cell_formula_units_Z   48
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  0.507561  0.418946  0.320189  1
  Zr  Zr2  1  0.007561  0.769779  0.302505  1
  Zr  Zr3  1  0.507561  0.118773  0.286194  1
  Zr  Zr4  1  0.507561  0.602845  0.304011  1
  Zr  Zr5  1  0.007561  0.953375  0.286119  1
  Zr  Zr6  1  0.007561  0.251322  0.320596  1
  Zr  Zr7  1  0.007561  0.359449  0.375175  1
  Zr  Zr8  1  0.507561  0.711584  0.357302  1
  Zr  Zr9  1  0.007561  0.065126  0.339357  1
  Zr  Zr10  1  0.007561  0.544076  0.358018  1
  Zr  Zr11  1  0.507561  0.896463  0.339986  1
  Zr  Zr12  1  0.507561  0.192975  0.376386  1
  Zr  Zr13  1  0.507561  0.301873  0.431539  1
  Zr  Zr14  1  0.007561  0.653836  0.413253  1
  Zr  Zr15  1  0.507561  0.006738  0.394992  1
  Zr  Zr16  1  0.507561  0.486437  0.413666  1
  Zr  Zr17  1  0.007561  0.839185  0.395484  1
  Zr  Zr18  1  0.007561  0.134674  0.432248  1
  Zr  Zr19  1  0.007561  0.243897  0.487486  1
  Zr  Zr20  1  0.507561  0.595984  0.469048  1
  Zr  Zr21  1  0.007561  0.948745  0.450643  1
  Zr  Zr22  1  0.007561  0.428976  0.469524  1
  Zr  Zr23  1  0.507561  0.781301  0.451146  1
  Zr  Zr24  1  0.507561  0.076595  0.488074  1
  Zr  Zr25  1  0.507561  0.185985  0.543299  1
  Zr  Zr26  1  0.007561  0.538310  0.524922  1
  Zr  Zr27  1  0.507561  0.890691  0.506371  1
  Zr  Zr28  1  0.507561  0.371302  0.525398  1
  Zr  Zr29  1  0.007561  0.723389  0.506960  1
  Zr  Zr30  1  0.007561  0.018541  0.543803  1
  Zr  Zr31  1  0.007561  0.128101  0.598961  1
  Zr  Zr32  1  0.507561  0.480849  0.580780  1
  Zr  Zr33  1  0.007561  0.832612  0.562198  1
  Zr  Zr34  1  0.007561  0.313450  0.581193  1
  Zr  Zr35  1  0.507561  0.665413  0.562906  1
  Zr  Zr36  1  0.507561  0.960548  0.599454  1
  Zr  Zr37  1  0.507561  0.070823  0.654459  1
  Zr  Zr38  1  0.007561  0.423210  0.636427  1
  Zr  Zr39  1  0.507561  0.774311  0.618060  1
  Zr  Zr40  1  0.507561  0.255702  0.637144  1
  Zr  Zr41  1  0.007561  0.607837  0.619270  1
  Zr  Zr42  1  0.007561  0.902160  0.655089  1
  Zr  Zr43  1  0.007561  0.013911  0.708327  1
  Zr  Zr44  1  0.507561  0.364441  0.690435  1
  Zr  Zr45  1  0.007561  0.715964  0.673849  1
  Zr  Zr46  1  0.007561  0.197507  0.691940  1
  Zr  Zr47  1  0.507561  0.548340  0.674257  1
  Zr  Zr48  1  0.507561  0.848513  0.708252  1
