# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25934724
_cell_length_b   13.20112415
_cell_length_c   52.01846255
_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   Zr42
_cell_volume   2238.20086218
_cell_formula_units_Z   42
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  0.546479  0.340956  0.302472  1
  Zr  Zr2  1  0.546479  0.110710  0.240637  1
  Zr  Zr3  1  0.546479  0.732466  0.285055  1
  Zr  Zr4  1  1.046479  0.524015  0.276849  1
  Zr  Zr5  1  1.046479  0.314001  0.249929  1
  Zr  Zr6  1  1.046479  0.924680  0.263741  1
  Zr  Zr7  1  0.546479  0.167822  0.345300  1
  Zr  Zr8  1  0.546479  0.951406  0.315951  1
  Zr  Zr9  1  0.546479  0.558347  0.329414  1
  Zr  Zr10  1  1.046479  0.372686  0.354696  1
  Zr  Zr11  1  1.046479  0.138274  0.292204  1
  Zr  Zr12  1  1.046479  0.762802  0.336513  1
  Zr  Zr13  1  0.546479  0.011013  0.423304  1
  Zr  Zr14  1  0.546479  0.792907  0.386317  1
  Zr  Zr15  1  0.546479  0.403820  0.407260  1
  Zr  Zr16  1  1.046479  0.197199  0.398324  1
  Zr  Zr17  1  1.046479  0.983309  0.368983  1
  Zr  Zr18  1  1.046479  0.589243  0.382264  1
  Zr  Zr19  1  0.546479  0.868848  0.477879  1
  Zr  Zr20  1  0.546479  0.614957  0.434936  1
  Zr  Zr21  1  0.546479  0.237319  0.450811  1
  Zr  Zr22  1  1.046479  0.063130  0.476752  1
  Zr  Zr23  1  1.046479  0.809240  0.433808  1
  Zr  Zr24  1  1.046479  0.440769  0.460876  1
  Zr  Zr25  1  0.546479  0.694779  0.542705  1
  Zr  Zr26  1  0.546479  0.480889  0.513364  1
  Zr  Zr27  1  0.546479  0.088845  0.529424  1
  Zr  Zr28  1  1.046479  0.885180  0.525370  1
  Zr  Zr29  1  1.046479  0.667074  0.488384  1
  Zr  Zr30  1  1.046479  0.274267  0.504428  1
  Zr  Zr31  1  0.546479  0.539814  0.619484  1
  Zr  Zr32  1  0.546479  0.305401  0.556992  1
  Zr  Zr33  1  0.546479  0.915286  0.575175  1
  Zr  Zr34  1  1.046479  0.726682  0.595736  1
  Zr  Zr35  1  1.046479  0.510266  0.566388  1
  Zr  Zr36  1  1.046479  0.119740  0.582273  1
  Zr  Zr37  1  0.546479  0.364086  0.661759  1
  Zr  Zr38  1  0.546479  0.154073  0.634839  1
  Zr  Zr39  1  0.546479  0.753408  0.647946  1
  Zr  Zr40  1  1.046479  0.567378  0.671051  1
  Zr  Zr41  1  1.046479  0.337132  0.609215  1
  Zr  Zr42  1  1.046479  0.945622  0.626633  1
