# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54967500
_cell_length_b   6.11182754
_cell_length_c   46.22591947
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.06508505
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr26
_cell_volume   1396.21842262
_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  0.415984  0.945807  0.306720  1
  Zr  Zr2  1  0.837542  0.501613  0.293084  1
  Zr  Zr3  1  0.862870  0.866051  0.340548  1
  Zr  Zr4  1  0.279348  0.396468  0.322943  1
  Zr  Zr5  1  0.310517  0.771368  0.373122  1
  Zr  Zr6  1  0.739793  0.319835  0.357488  1
  Zr  Zr7  1  0.765857  0.686716  0.407531  1
  Zr  Zr8  1  0.199076  0.229043  0.390787  1
  Zr  Zr9  1  0.220507  0.598759  0.440591  1
  Zr  Zr10  1  0.654916  0.141259  0.423978  1
  Zr  Zr11  1  0.676803  0.511301  0.474123  1
  Zr  Zr12  1  0.112195  0.055620  0.457602  1
  Zr  Zr13  1  0.133034  0.424768  0.507610  1
  Zr  Zr14  1  0.568069  0.967324  0.490851  1
  Zr  Zr15  1  0.588907  0.336472  0.540859  1
  Zr  Zr16  1  0.024300  0.880791  0.524338  1
  Zr  Zr17  1  0.046186  0.250833  0.574483  1
  Zr  Zr18  1  0.480595  0.793333  0.557870  1
  Zr  Zr19  1  0.502026  0.163049  0.607674  1
  Zr  Zr20  1  0.935246  0.705376  0.590930  1
  Zr  Zr21  1  0.961309  0.072257  0.640973  1
  Zr  Zr22  1  0.390585  0.620724  0.625339  1
  Zr  Zr23  1  0.421754  0.995624  0.675518  1
  Zr  Zr24  1  0.838233  0.526041  0.657913  1
  Zr  Zr25  1  0.863561  0.890479  0.705377  1
  Zr  Zr26  1  0.285118  0.446285  0.691741  1
