# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21037151
_cell_length_b   5.56421971
_cell_length_c   46.60641154
_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   1351.19685674
_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  0.250464  0.366581  0.280237  1
  Zr  Zr2  1  0.750464  0.195105  0.310037  1
  Zr  Zr3  1  0.250464  0.848930  0.310789  1
  Zr  Zr4  1  0.750464  0.681908  0.343680  1
  Zr  Zr5  1  0.250464  0.337863  0.346402  1
  Zr  Zr6  1  0.750464  0.174509  0.379440  1
  Zr  Zr7  1  0.250464  0.837384  0.379999  1
  Zr  Zr8  1  0.750464  0.671706  0.414026  1
  Zr  Zr9  1  0.250464  0.336100  0.414871  1
  Zr  Zr10  1  0.750464  0.170117  0.448855  1
  Zr  Zr11  1  0.250464  0.835022  0.449172  1
  Zr  Zr12  1  0.750464  0.669097  0.483464  1
  Zr  Zr13  1  0.250464  0.334171  0.483820  1
  Zr  Zr14  1  0.750464  0.168255  0.518067  1
  Zr  Zr15  1  0.250464  0.833330  0.518422  1
  Zr  Zr16  1  0.750464  0.667404  0.552714  1
  Zr  Zr17  1  0.250464  0.332310  0.553032  1
  Zr  Zr18  1  0.750464  0.166326  0.587016  1
  Zr  Zr19  1  0.250464  0.830720  0.587860  1
  Zr  Zr20  1  0.750464  0.665043  0.621887  1
  Zr  Zr21  1  0.250464  0.327917  0.622446  1
  Zr  Zr22  1  0.750464  0.164564  0.655485  1
  Zr  Zr23  1  0.250464  0.820519  0.658207  1
  Zr  Zr24  1  0.750464  0.653497  0.691098  1
  Zr  Zr25  1  0.250464  0.307322  0.691850  1
  Zr  Zr26  1  0.750464  0.135846  0.721650  1
