# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96596592
_cell_length_b   7.95630418
_cell_length_c   46.43449500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr56
_cell_volume   2883.54123359
_cell_formula_units_Z   56
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  0.813858  0.814582  0.328790  1
  Zr  Zr2  1  0.313836  0.314560  0.334879  1
  Zr  Zr3  1  0.429798  0.950478  0.302006  1
  Zr  Zr4  1  0.949790  0.430454  0.301996  1
  Zr  Zr5  1  0.564031  0.564765  0.329188  1
  Zr  Zr6  1  0.313828  0.314552  0.271688  1
  Zr  Zr7  1  0.197906  0.678634  0.302006  1
  Zr  Zr8  1  0.677875  0.198698  0.301996  1
  Zr  Zr9  1  0.688511  0.689242  0.394595  1
  Zr  Zr10  1  0.188014  0.188720  0.395065  1
  Zr  Zr11  1  0.313834  0.814572  0.364827  1
  Zr  Zr12  1  0.813847  0.314558  0.364825  1
  Zr  Zr13  1  0.439667  0.440410  0.395047  1
  Zr  Zr14  1  0.063664  0.064377  0.329194  1
  Zr  Zr15  1  0.056776  0.571633  0.365307  1
  Zr  Zr16  1  0.570904  0.057495  0.365307  1
  Zr  Zr17  1  0.438964  0.439692  0.460140  1
  Zr  Zr18  1  0.938676  0.939395  0.459789  1
  Zr  Zr19  1  0.064487  0.563929  0.430639  1
  Zr  Zr20  1  0.563210  0.065217  0.430639  1
  Zr  Zr21  1  0.188664  0.189388  0.460172  1
  Zr  Zr22  1  0.939189  0.939905  0.394613  1
  Zr  Zr23  1  0.813808  0.314612  0.430732  1
  Zr  Zr24  1  0.313888  0.814532  0.430732  1
  Zr  Zr25  1  0.313809  0.314539  0.523045  1
  Zr  Zr26  1  0.813887  0.814605  0.522961  1
  Zr  Zr27  1  0.938599  0.440052  0.495657  1
  Zr  Zr28  1  0.439327  0.939324  0.495657  1
  Zr  Zr29  1  0.063810  0.064535  0.522992  1
  Zr  Zr30  1  0.689110  0.689836  0.459756  1
  Zr  Zr31  1  0.689128  0.189062  0.495657  1
  Zr  Zr32  1  0.188338  0.689851  0.495658  1
  Zr  Zr33  1  0.187719  0.188447  0.587076  1
  Zr  Zr34  1  0.688841  0.689565  0.586928  1
  Zr  Zr35  1  0.813035  0.315384  0.559476  1
  Zr  Zr36  1  0.314660  0.813760  0.559476  1
  Zr  Zr37  1  0.939982  0.940703  0.587051  1
  Zr  Zr38  1  0.563886  0.564610  0.522832  1
  Zr  Zr39  1  0.563938  0.064481  0.559846  1
  Zr  Zr40  1  0.063758  0.564662  0.559849  1
  Zr  Zr41  1  0.063853  0.064577  0.655190  1
  Zr  Zr42  1  0.563853  0.564577  0.652020  1
  Zr  Zr43  1  0.691461  0.188368  0.622667  1
  Zr  Zr44  1  0.187659  0.692198  0.622670  1
  Zr  Zr45  1  0.813276  0.813961  0.650877  1
  Zr  Zr46  1  0.438845  0.439567  0.586950  1
  Zr  Zr47  1  0.436290  0.940726  0.622668  1
  Zr  Zr48  1  0.939988  0.437001  0.622670  1
  Zr  Zr49  1  0.818498  0.819300  0.715306  1
  Zr  Zr50  1  0.309237  0.309883  0.715319  1
  Zr  Zr51  1  0.444468  0.936184  0.687419  1
  Zr  Zr52  1  0.935503  0.445140  0.687429  1
  Zr  Zr53  1  0.563866  0.564590  0.717446  1
  Zr  Zr54  1  0.314430  0.315192  0.650890  1
  Zr  Zr55  1  0.192216  0.684018  0.687428  1
  Zr  Zr56  1  0.683242  0.192983  0.687418  1
