# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16566884
_cell_length_b   5.51273245
_cell_length_c   46.49967666
_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   Zr26
_cell_volume   1324.16897847
_cell_formula_units_Z   26
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  0.253536  0.382243  0.282056  1
  Zr  Zr2  1  0.753536  0.190764  0.308797  1
  Zr  Zr3  1  0.253536  0.867410  0.310032  1
  Zr  Zr4  1  0.753536  0.684758  0.341643  1
  Zr  Zr5  1  0.253536  0.352734  0.346257  1
  Zr  Zr6  1  0.753536  0.179670  0.377962  1
  Zr  Zr7  1  0.253536  0.845619  0.378741  1
  Zr  Zr8  1  0.753536  0.677602  0.412360  1
  Zr  Zr9  1  0.253536  0.340703  0.414072  1
  Zr  Zr10  1  0.753536  0.175398  0.447723  1
  Zr  Zr11  1  0.253536  0.837558  0.448231  1
  Zr  Zr12  1  0.753536  0.674025  0.482465  1
  Zr  Zr13  1  0.253536  0.335674  0.483161  1
  Zr  Zr14  1  0.753536  0.172324  0.517262  1
  Zr  Zr15  1  0.253536  0.833973  0.517958  1
  Zr  Zr16  1  0.753536  0.670440  0.552192  1
  Zr  Zr17  1  0.253536  0.332599  0.552700  1
  Zr  Zr18  1  0.753536  0.167294  0.586351  1
  Zr  Zr19  1  0.253536  0.830396  0.588063  1
  Zr  Zr20  1  0.753536  0.662378  0.621682  1
  Zr  Zr21  1  0.253536  0.328327  0.622461  1
  Zr  Zr22  1  0.753536  0.155264  0.654166  1
  Zr  Zr23  1  0.253536  0.823239  0.658780  1
  Zr  Zr24  1  0.753536  0.640588  0.690392  1
  Zr  Zr25  1  0.253536  0.317234  0.691626  1
  Zr  Zr26  1  0.753536  0.125755  0.718367  1
