# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53864248
_cell_length_b   6.10942811
_cell_length_c   46.32926854
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.06509543
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr26
_cell_volume   1396.00977153
_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  0.417865  0.946664  0.305768  1
  Zr  Zr2  1  0.838128  0.503098  0.292128  1
  Zr  Zr3  1  0.864395  0.866502  0.339632  1
  Zr  Zr4  1  0.279594  0.396973  0.321974  1
  Zr  Zr5  1  0.312154  0.771859  0.372131  1
  Zr  Zr6  1  0.740250  0.320425  0.356480  1
  Zr  Zr7  1  0.767536  0.687108  0.406519  1
  Zr  Zr8  1  0.199603  0.229615  0.389767  1
  Zr  Zr9  1  0.222160  0.599078  0.439544  1
  Zr  Zr10  1  0.655431  0.141644  0.422917  1
  Zr  Zr11  1  0.678453  0.511527  0.473041  1
  Zr  Zr12  1  0.112751  0.055969  0.456520  1
  Zr  Zr13  1  0.134684  0.424924  0.506500  1
  Zr  Zr14  1  0.568619  0.967560  0.489733  1
  Zr  Zr15  1  0.590553  0.336515  0.539713  1
  Zr  Zr16  1  0.024851  0.880956  0.523193  1
  Zr  Zr17  1  0.047872  0.250840  0.573317  1
  Zr  Zr18  1  0.481144  0.793405  0.556690  1
  Zr  Zr19  1  0.503701  0.162869  0.606467  1
  Zr  Zr20  1  0.935768  0.705375  0.589715  1
  Zr  Zr21  1  0.963053  0.072059  0.639754  1
  Zr  Zr22  1  0.391150  0.620624  0.624103  1
  Zr  Zr23  1  0.423709  0.995511  0.674260  1
  Zr  Zr24  1  0.838909  0.525982  0.656602  1
  Zr  Zr25  1  0.865176  0.889385  0.704106  1
  Zr  Zr26  1  0.285439  0.445820  0.690465  1
