# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22973964
_cell_length_b   10.70851232
_cell_length_c   52.52926286
_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   Zr36
_cell_volume   1816.7616794
_cell_formula_units_Z   36
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  0.531066  0.869115  0.252764  1
  Zr  Zr2  1  0.531066  0.597382  0.279988  1
  Zr  Zr3  1  0.531066  0.135571  0.229152  1
  Zr  Zr4  1  0.031066  0.097382  0.279988  1
  Zr  Zr5  1  0.031066  0.635571  0.229152  1
  Zr  Zr6  1  0.031066  0.369115  0.252764  1
  Zr  Zr7  1  0.531066  0.049651  0.331629  1
  Zr  Zr8  1  0.531066  0.776256  0.357356  1
  Zr  Zr9  1  0.531066  0.323513  0.305351  1
  Zr  Zr10  1  0.031066  0.276256  0.357356  1
  Zr  Zr11  1  0.031066  0.823513  0.305351  1
  Zr  Zr12  1  0.031066  0.549651  0.331629  1
  Zr  Zr13  1  0.531066  0.229037  0.409281  1
  Zr  Zr14  1  0.531066  0.955407  0.435276  1
  Zr  Zr15  1  0.531066  0.502564  0.383423  1
  Zr  Zr16  1  0.031066  0.455407  0.435276  1
  Zr  Zr17  1  0.031066  1.002564  0.383423  1
  Zr  Zr18  1  0.031066  0.729037  0.409281  1
  Zr  Zr19  1  0.531066  0.408227  0.487161  1
  Zr  Zr20  1  0.531066  0.134701  0.513019  1
  Zr  Zr21  1  0.531066  0.681858  0.461166  1
  Zr  Zr22  1  0.031066  0.634701  0.513019  1
  Zr  Zr23  1  0.031066  0.181858  0.461166  1
  Zr  Zr24  1  0.031066  0.908227  0.487161  1
  Zr  Zr25  1  0.531066  0.587614  0.564813  1
  Zr  Zr26  1  0.531066  0.313752  0.591091  1
  Zr  Zr27  1  0.531066  0.861009  0.539086  1
  Zr  Zr28  1  0.031066  0.813752  0.591091  1
  Zr  Zr29  1  0.031066  0.361009  0.539086  1
  Zr  Zr30  1  0.031066  0.087614  0.564813  1
  Zr  Zr31  1  0.531066  0.768149  0.643678  1
  Zr  Zr32  1  0.531066  0.501693  0.667290  1
  Zr  Zr33  1  0.531066  0.039882  0.616454  1
  Zr  Zr34  1  0.031066  1.001693  0.667290  1
  Zr  Zr35  1  0.031066  0.539882  0.616454  1
  Zr  Zr36  1  0.031066  0.268149  0.643678  1
