# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18229974
_cell_length_b   7.60147159
_cell_length_c   49.54881564
_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   Zr24
_cell_volume   1198.59382978
_cell_formula_units_Z   24
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  1.008132  0.366096  0.337510  1
  Zr  Zr2  1  0.508132  0.638561  0.299471  1
  Zr  Zr3  1  0.508132  0.041956  0.311149  1
  Zr  Zr4  1  1.008132  0.320201  0.276829  1
  Zr  Zr5  1  1.008132  0.826737  0.414383  1
  Zr  Zr6  1  0.508132  0.095804  0.375404  1
  Zr  Zr7  1  0.508132  0.504992  0.389135  1
  Zr  Zr8  1  1.008132  0.774571  0.350156  1
  Zr  Zr9  1  1.008132  0.285727  0.491617  1
  Zr  Zr10  1  0.508132  0.556195  0.453102  1
  Zr  Zr11  1  0.508132  0.964024  0.466186  1
  Zr  Zr12  1  1.008132  0.233979  0.427444  1
  Zr  Zr13  1  1.008132  0.745680  0.569087  1
  Zr  Zr14  1  0.508132  0.015636  0.530344  1
  Zr  Zr15  1  0.508132  0.423465  0.543428  1
  Zr  Zr16  1  1.008132  0.693933  0.504914  1
  Zr  Zr17  1  1.008132  0.205088  0.646375  1
  Zr  Zr18  1  0.508132  0.474667  0.607396  1
  Zr  Zr19  1  0.508132  0.883855  0.621127  1
  Zr  Zr20  1  1.008132  0.152923  0.582147  1
  Zr  Zr21  1  1.008132  0.659459  0.719701  1
  Zr  Zr22  1  0.508132  0.937703  0.685382  1
  Zr  Zr23  1  0.508132  0.341098  0.697059  1
  Zr  Zr24  1  1.008132  0.613563  0.659020  1
