# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20993520
_cell_length_b   11.49293604
_cell_length_c   46.64347142
_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   Zr54
_cell_volume   2792.89222396
_cell_formula_units_Z   54
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  0.250506  0.364414  0.281495  1
  Zr  Zr2  1  0.250506  0.905788  0.310495  1
  Zr  Zr3  1  0.250506  0.632212  0.294660  1
  Zr  Zr4  1  0.750506  0.338369  0.316250  1
  Zr  Zr5  1  0.750506  0.071938  0.299119  1
  Zr  Zr6  1  0.750506  0.793365  0.284523  1
  Zr  Zr7  1  0.250506  0.174494  0.328883  1
  Zr  Zr8  1  0.250506  0.715347  0.360579  1
  Zr  Zr9  1  0.250506  0.444282  0.346196  1
  Zr  Zr10  1  0.750506  0.141728  0.366342  1
  Zr  Zr11  1  0.750506  0.873611  0.348627  1
  Zr  Zr12  1  0.750506  0.601655  0.331856  1
  Zr  Zr13  1  0.250506  0.984017  0.377941  1
  Zr  Zr14  1  0.250506  0.524479  0.411825  1
  Zr  Zr15  1  0.250506  0.253547  0.395496  1
  Zr  Zr16  1  0.750506  0.948622  0.416202  1
  Zr  Zr17  1  0.750506  0.679986  0.399290  1
  Zr  Zr18  1  0.750506  0.410569  0.383586  1
  Zr  Zr19  1  0.250506  0.792536  0.427924  1
  Zr  Zr20  1  0.250506  0.331368  0.461836  1
  Zr  Zr21  1  0.250506  0.061233  0.444904  1
  Zr  Zr22  1  0.750506  0.756170  0.466295  1
  Zr  Zr23  1  0.750506  0.487195  0.449957  1
  Zr  Zr24  1  0.750506  0.217424  0.433501  1
  Zr  Zr25  1  0.250506  0.600589  0.478390  1
  Zr  Zr26  1  0.250506  0.138885  0.511675  1
  Zr  Zr27  1  0.250506  0.869385  0.494813  1
  Zr  Zr28  1  0.750506  0.563526  0.516593  1
  Zr  Zr29  1  0.750506  0.294730  0.500169  1
  Zr  Zr30  1  0.750506  0.025230  0.483308  1
  Zr  Zr31  1  0.250506  0.407945  0.528687  1
  Zr  Zr32  1  0.250506  0.946691  0.561482  1
  Zr  Zr33  1  0.250506  0.676920  0.545026  1
  Zr  Zr34  1  0.750506  0.371578  0.567058  1
  Zr  Zr35  1  0.750506  0.102882  0.550079  1
  Zr  Zr36  1  0.750506  0.832746  0.533146  1
  Zr  Zr37  1  0.250506  0.215493  0.578780  1
  Zr  Zr38  1  0.250506  0.753546  0.611397  1
  Zr  Zr39  1  0.250506  0.484129  0.595693  1
  Zr  Zr40  1  0.750506  0.180097  0.617042  1
  Zr  Zr41  1  0.750506  0.910568  0.599487  1
  Zr  Zr42  1  0.750506  0.639635  0.583157  1
  Zr  Zr43  1  0.250506  0.022387  0.628641  1
  Zr  Zr44  1  0.250506  0.562459  0.663126  1
  Zr  Zr45  1  0.250506  0.290504  0.646355  1
  Zr  Zr46  1  0.750506  0.989621  0.666099  1
  Zr  Zr47  1  0.750506  0.719833  0.648786  1
  Zr  Zr48  1  0.750506  0.448768  0.634404  1
  Zr  Zr49  1  0.250506  0.825745  0.678732  1
  Zr  Zr50  1  0.250506  0.370750  0.710459  1
  Zr  Zr51  1  0.250506  0.092176  0.695863  1
  Zr  Zr52  1  0.750506  0.799701  0.713488  1
  Zr  Zr53  1  0.750506  0.531902  0.700322  1
  Zr  Zr54  1  0.750506  0.258327  0.684487  1
