# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16219231
_cell_length_b   5.55804807
_cell_length_c   46.99414216
_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   1348.34243816
_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  0.252270  0.349659  0.277303  1
  Zr  Zr2  1  0.752270  0.175261  0.308046  1
  Zr  Zr3  1  0.252270  0.840209  0.307729  1
  Zr  Zr4  1  0.752270  0.674341  0.342128  1
  Zr  Zr5  1  0.252270  0.338215  0.343121  1
  Zr  Zr6  1  0.752270  0.173093  0.377353  1
  Zr  Zr7  1  0.252270  0.836147  0.377396  1
  Zr  Zr8  1  0.752270  0.672988  0.411806  1
  Zr  Zr9  1  0.252270  0.335197  0.412012  1
  Zr  Zr10  1  0.752270  0.172807  0.446488  1
  Zr  Zr11  1  0.252270  0.834645  0.446547  1
  Zr  Zr12  1  0.752270  0.672619  0.481073  1
  Zr  Zr13  1  0.252270  0.334378  0.481155  1
  Zr  Zr14  1  0.752270  0.172396  0.515667  1
  Zr  Zr15  1  0.252270  0.834154  0.515749  1
  Zr  Zr16  1  0.752270  0.672129  0.550275  1
  Zr  Zr17  1  0.252270  0.333966  0.550335  1
  Zr  Zr18  1  0.752270  0.171577  0.584811  1
  Zr  Zr19  1  0.252270  0.833785  0.585016  1
  Zr  Zr20  1  0.752270  0.670626  0.619427  1
  Zr  Zr21  1  0.252270  0.333681  0.619469  1
  Zr  Zr22  1  0.752270  0.168559  0.653701  1
  Zr  Zr23  1  0.252270  0.832432  0.654695  1
  Zr  Zr24  1  0.752270  0.666565  0.689094  1
  Zr  Zr25  1  0.252270  0.331513  0.688777  1
  Zr  Zr26  1  0.752270  0.157114  0.719520  1
