# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20525898
_cell_length_b   11.73009934
_cell_length_c   51.84860381
_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   1949.40412647
_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  0.560408  0.032368  0.265241  1
  Zr  Zr2  1  0.560408  0.644932  0.312887  1
  Zr  Zr3  1  0.560408  0.299823  0.272311  1
  Zr  Zr4  1  0.060408  0.144932  0.312887  1
  Zr  Zr5  1  0.060408  0.799823  0.272311  1
  Zr  Zr6  1  0.060408  0.532368  0.265241  1
  Zr  Zr7  1  0.560408  0.912390  0.320542  1
  Zr  Zr8  1  0.560408  0.525580  0.368280  1
  Zr  Zr9  1  0.560408  0.257672  0.360722  1
  Zr  Zr10  1  0.060408  0.025580  0.368280  1
  Zr  Zr11  1  0.060408  0.757672  0.360722  1
  Zr  Zr12  1  0.060408  0.412390  0.320542  1
  Zr  Zr13  1  0.560408  0.870693  0.408540  1
  Zr  Zr14  1  0.560408  0.483664  0.456353  1
  Zr  Zr15  1  0.560408  0.138522  0.416093  1
  Zr  Zr16  1  0.060408  0.983664  0.456353  1
  Zr  Zr17  1  0.060408  0.638522  0.416093  1
  Zr  Zr18  1  0.060408  0.370693  0.408540  1
  Zr  Zr19  1  0.560408  0.751494  0.463905  1
  Zr  Zr20  1  0.560408  0.364465  0.511718  1
  Zr  Zr21  1  0.560408  0.096636  0.504165  1
  Zr  Zr22  1  0.060408  0.864465  0.511718  1
  Zr  Zr23  1  0.060408  0.596636  0.504165  1
  Zr  Zr24  1  0.060408  0.251494  0.463905  1
  Zr  Zr25  1  0.560408  0.709578  0.551978  1
  Zr  Zr26  1  0.560408  0.322769  0.599717  1
  Zr  Zr27  1  0.560408  0.977486  0.559536  1
  Zr  Zr28  1  0.060408  0.822769  0.599717  1
  Zr  Zr29  1  0.060408  0.477486  0.559536  1
  Zr  Zr30  1  0.060408  0.209578  0.551978  1
  Zr  Zr31  1  0.560408  0.590227  0.607372  1
  Zr  Zr32  1  0.560408  0.202791  0.655017  1
  Zr  Zr33  1  0.560408  0.935335  0.647947  1
  Zr  Zr34  1  0.060408  0.702791  0.655017  1
  Zr  Zr35  1  0.060408  0.435335  0.647947  1
  Zr  Zr36  1  0.060408  0.090227  0.607372  1
