# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19185828
_cell_length_b   11.59400211
_cell_length_c   51.76957318
_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   Zr36
_cell_volume   1915.80613376
_cell_formula_units_Z   36
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  0.562317  0.050306  0.266360  1
  Zr  Zr2  1  0.562317  0.659737  0.313140  1
  Zr  Zr3  1  0.562317  0.316732  0.272974  1
  Zr  Zr4  1  1.062317  0.159737  0.313140  1
  Zr  Zr5  1  1.062317  0.816732  0.272974  1
  Zr  Zr6  1  1.062317  0.550306  0.266360  1
  Zr  Zr7  1  0.562317  0.927063  0.320544  1
  Zr  Zr8  1  0.562317  0.537107  0.368488  1
  Zr  Zr9  1  0.562317  0.269501  0.360730  1
  Zr  Zr10  1  1.062317  0.037107  0.368488  1
  Zr  Zr11  1  1.062317  0.769501  0.360730  1
  Zr  Zr12  1  1.062317  0.427063  0.320544  1
  Zr  Zr13  1  0.562317  0.879150  0.408649  1
  Zr  Zr14  1  0.562317  0.488952  0.456566  1
  Zr  Zr15  1  0.562317  0.146996  0.416434  1
  Zr  Zr16  1  1.062317  0.988952  0.456566  1
  Zr  Zr17  1  1.062317  0.646996  0.416434  1
  Zr  Zr18  1  1.062317  0.379150  0.408649  1
  Zr  Zr19  1  0.562317  0.756801  0.464370  1
  Zr  Zr20  1  0.562317  0.366603  0.512287  1
  Zr  Zr21  1  0.562317  0.098758  0.504501  1
  Zr  Zr22  1  1.062317  0.866603  0.512287  1
  Zr  Zr23  1  1.062317  0.598758  0.504501  1
  Zr  Zr24  1  1.062317  0.256801  0.464370  1
  Zr  Zr25  1  0.562317  0.708647  0.552448  1
  Zr  Zr26  1  0.562317  0.318691  0.600391  1
  Zr  Zr27  1  0.562317  0.976253  0.560206  1
  Zr  Zr28  1  1.062317  0.818691  0.600391  1
  Zr  Zr29  1  1.062317  0.476253  0.560206  1
  Zr  Zr30  1  1.062317  0.208647  0.552448  1
  Zr  Zr31  1  0.562317  0.586017  0.607796  1
  Zr  Zr32  1  0.562317  0.195447  0.654576  1
  Zr  Zr33  1  0.562317  0.929022  0.647962  1
  Zr  Zr34  1  1.062317  0.695447  0.654576  1
  Zr  Zr35  1  1.062317  0.429022  0.647962  1
  Zr  Zr36  1  1.062317  0.086017  0.607796  1
