# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10941446
_cell_length_b   10.43156463
_cell_length_c   50.64590393
_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   Zr40
_cell_volume   2171.06949274
_cell_formula_units_Z   40
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  0.052128  0.661203  0.323968  1
  Zr  Zr2  1  0.052128  0.263606  0.285458  1
  Zr  Zr3  1  0.552128  0.465529  0.302932  1
  Zr  Zr4  1  0.552128  0.861373  0.344729  1
  Zr  Zr5  1  0.552128  0.763606  0.285458  1
  Zr  Zr6  1  0.552128  0.161203  0.323968  1
  Zr  Zr7  1  0.052128  0.361373  0.344729  1
  Zr  Zr8  1  0.052128  0.965529  0.302932  1
  Zr  Zr9  1  0.052128  0.462047  0.407505  1
  Zr  Zr10  1  0.052128  0.061752  0.365522  1
  Zr  Zr11  1  0.552128  0.262104  0.386773  1
  Zr  Zr12  1  0.552128  0.661681  0.428496  1
  Zr  Zr13  1  0.552128  0.561752  0.365522  1
  Zr  Zr14  1  0.552128  0.962047  0.407505  1
  Zr  Zr15  1  0.052128  0.161681  0.428496  1
  Zr  Zr16  1  0.052128  0.762104  0.386773  1
  Zr  Zr17  1  0.052128  0.261271  0.491317  1
  Zr  Zr18  1  0.052128  0.861627  0.449440  1
  Zr  Zr19  1  0.552128  0.061443  0.470365  1
  Zr  Zr20  1  0.552128  0.461087  0.512242  1
  Zr  Zr21  1  0.552128  0.361627  0.449440  1
  Zr  Zr22  1  0.552128  0.761271  0.491317  1
  Zr  Zr23  1  0.052128  0.961087  0.512242  1
  Zr  Zr24  1  0.052128  0.561443  0.470365  1
  Zr  Zr25  1  0.052128  0.060610  0.574910  1
  Zr  Zr26  1  0.052128  0.661033  0.533186  1
  Zr  Zr27  1  0.552128  0.860667  0.554178  1
  Zr  Zr28  1  0.552128  0.260962  0.596161  1
  Zr  Zr29  1  0.552128  0.161033  0.533186  1
  Zr  Zr30  1  0.552128  0.560610  0.574910  1
  Zr  Zr31  1  0.052128  0.760962  0.596161  1
  Zr  Zr32  1  0.052128  0.360667  0.554178  1
  Zr  Zr33  1  0.052128  0.857185  0.658750  1
  Zr  Zr34  1  0.052128  0.461341  0.616953  1
  Zr  Zr35  1  0.552128  0.661511  0.637714  1
  Zr  Zr36  1  0.552128  0.059108  0.676225  1
  Zr  Zr37  1  0.552128  0.961341  0.616953  1
  Zr  Zr38  1  0.552128  0.357185  0.658750  1
  Zr  Zr39  1  0.052128  0.559108  0.676225  1
  Zr  Zr40  1  0.052128  0.161511  0.637714  1
