# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50820178
_cell_length_b   14.31286103
_cell_length_c   48.05497595
_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   Zr60
_cell_volume   3100.76008402
_cell_formula_units_Z   60
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  0.505430  0.300418  0.335821  1
  Zr  Zr2  1  0.505430  0.999187  0.304342  1
  Zr  Zr3  1  0.505430  0.702296  0.277024  1
  Zr  Zr4  1  1.005430  0.148450  0.320024  1
  Zr  Zr5  1  1.005430  0.851009  0.290314  1
  Zr  Zr6  1  1.005430  0.449844  0.350695  1
  Zr  Zr7  1  1.005430  0.351009  0.290314  1
  Zr  Zr8  1  1.005430  0.949844  0.350695  1
  Zr  Zr9  1  1.005430  0.648450  0.320024  1
  Zr  Zr10  1  0.505430  0.202296  0.277024  1
  Zr  Zr11  1  0.505430  0.800418  0.335821  1
  Zr  Zr12  1  0.505430  0.499187  0.304342  1
  Zr  Zr13  1  0.505430  0.197202  0.426438  1
  Zr  Zr14  1  0.505430  0.898413  0.396245  1
  Zr  Zr15  1  0.505430  0.599072  0.365544  1
  Zr  Zr16  1  1.005430  0.047858  0.411274  1
  Zr  Zr17  1  0.005430  0.748649  0.381048  1
  Zr  Zr18  1  1.005430  0.346852  0.441718  1
  Zr  Zr19  1  1.005430  0.248649  0.381048  1
  Zr  Zr20  1  1.005430  0.846852  0.441718  1
  Zr  Zr21  1  0.005430  0.547858  0.411274  1
  Zr  Zr22  1  0.505430  0.099072  0.365544  1
  Zr  Zr23  1  0.505430  0.697202  0.426438  1
  Zr  Zr24  1  0.505430  0.398413  0.396245  1
  Zr  Zr25  1  0.505430  0.094376  0.517611  1
  Zr  Zr26  1  0.505430  0.795303  0.487195  1
  Zr  Zr27  1  0.505430  0.496389  0.456899  1
  Zr  Zr28  1  1.005430  0.944887  0.502428  1
  Zr  Zr29  1  0.005430  0.645814  0.472012  1
  Zr  Zr30  1  1.005430  0.243801  0.532724  1
  Zr  Zr31  1  1.005430  0.145814  0.472012  1
  Zr  Zr32  1  1.005430  0.743801  0.532724  1
  Zr  Zr33  1  0.005430  0.444887  0.502428  1
  Zr  Zr34  1  0.505430  0.996389  0.456899  1
  Zr  Zr35  1  0.505430  0.594376  0.517611  1
  Zr  Zr36  1  0.505430  0.295303  0.487195  1
  Zr  Zr37  1  0.505430  0.991541  0.608575  1
  Zr  Zr38  1  0.505430  0.692332  0.578349  1
  Zr  Zr39  1  0.505430  0.393338  0.547905  1
  Zr  Zr40  1  0.005430  0.841777  0.593378  1
  Zr  Zr41  1  1.005430  0.542988  0.563185  1
  Zr  Zr42  1  1.005430  0.141118  0.624079  1
  Zr  Zr43  1  1.005430  0.042988  0.563185  1
  Zr  Zr44  1  1.005430  0.641118  0.624079  1
  Zr  Zr45  1  1.005430  0.341777  0.593378  1
  Zr  Zr46  1  0.505430  0.893338  0.547905  1
  Zr  Zr47  1  0.505430  0.491541  0.608575  1
  Zr  Zr48  1  0.505430  0.192332  0.578349  1
  Zr  Zr49  1  0.505430  0.889181  0.699309  1
  Zr  Zr50  1  0.505430  0.591740  0.669599  1
  Zr  Zr51  1  0.505430  0.290346  0.638927  1
  Zr  Zr52  1  1.005430  0.741003  0.685281  1
  Zr  Zr53  1  1.005430  0.439773  0.653802  1
  Zr  Zr54  1  1.005430  0.037894  0.712599  1
  Zr  Zr55  1  1.005430  0.939773  0.653802  1
  Zr  Zr56  1  1.005430  0.537894  0.712599  1
  Zr  Zr57  1  1.005430  0.241003  0.685281  1
  Zr  Zr58  1  0.505430  0.790346  0.638927  1
  Zr  Zr59  1  0.505430  0.389181  0.699309  1
  Zr  Zr60  1  0.505430  0.091740  0.669599  1
