# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.64142211
_cell_length_b   7.87737275
_cell_length_c   48.32065123
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   128.01636192
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr56
_cell_volume   2891.28226348
_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  0.433659  0.360966  0.278171  1
  Zr  Zr2  1  0.933659  0.360966  0.278171  1
  Zr  Zr3  1  0.060149  0.114454  0.305740  1
  Zr  Zr4  1  0.560149  0.114454  0.305740  1
  Zr  Zr5  1  0.933659  0.360966  0.340481  1
  Zr  Zr6  1  0.433659  0.360966  0.340481  1
  Zr  Zr7  1  0.307170  0.607479  0.305740  1
  Zr  Zr8  1  0.807170  0.607479  0.305740  1
  Zr  Zr9  1  0.683659  0.860966  0.335402  1
  Zr  Zr10  1  0.183659  0.860966  0.335402  1
  Zr  Zr11  1  0.309678  0.612975  0.370454  1
  Zr  Zr12  1  0.809678  0.612975  0.370454  1
  Zr  Zr13  1  0.183659  0.860966  0.402451  1
  Zr  Zr14  1  0.683659  0.860966  0.402451  1
  Zr  Zr15  1  0.557641  0.108958  0.370454  1
  Zr  Zr16  1  0.057641  0.108958  0.370454  1
  Zr  Zr17  1  0.933659  0.360966  0.404087  1
  Zr  Zr18  1  0.433659  0.360966  0.404087  1
  Zr  Zr19  1  0.558260  0.110172  0.435679  1
  Zr  Zr20  1  0.058260  0.110172  0.435679  1
  Zr  Zr21  1  0.433659  0.360966  0.468521  1
  Zr  Zr22  1  0.933659  0.360966  0.468521  1
  Zr  Zr23  1  0.809059  0.611760  0.435679  1
  Zr  Zr24  1  0.309059  0.611760  0.435679  1
  Zr  Zr25  1  0.183659  0.860966  0.468117  1
  Zr  Zr26  1  0.683659  0.860966  0.468117  1
  Zr  Zr27  1  0.808920  0.611488  0.500867  1
  Zr  Zr28  1  0.308920  0.611488  0.500867  1
  Zr  Zr29  1  0.683659  0.860966  0.533618  1
  Zr  Zr30  1  0.183659  0.860966  0.533618  1
  Zr  Zr31  1  0.058398  0.110445  0.500867  1
  Zr  Zr32  1  0.558398  0.110445  0.500867  1
  Zr  Zr33  1  0.433659  0.360966  0.533214  1
  Zr  Zr34  1  0.933659  0.360966  0.533214  1
  Zr  Zr35  1  0.058260  0.110172  0.566056  1
  Zr  Zr36  1  0.558260  0.110172  0.566056  1
  Zr  Zr37  1  0.933659  0.360966  0.597648  1
  Zr  Zr38  1  0.433659  0.360966  0.597648  1
  Zr  Zr39  1  0.309059  0.611760  0.566056  1
  Zr  Zr40  1  0.809059  0.611760  0.566056  1
  Zr  Zr41  1  0.683659  0.860966  0.599284  1
  Zr  Zr42  1  0.183659  0.860966  0.599284  1
  Zr  Zr43  1  0.309678  0.612975  0.631281  1
  Zr  Zr44  1  0.809678  0.612975  0.631281  1
  Zr  Zr45  1  0.183659  0.860966  0.666332  1
  Zr  Zr46  1  0.683659  0.860966  0.666332  1
  Zr  Zr47  1  0.557641  0.108958  0.631281  1
  Zr  Zr48  1  0.057641  0.108958  0.631281  1
  Zr  Zr49  1  0.933659  0.360966  0.661254  1
  Zr  Zr50  1  0.433659  0.360966  0.661254  1
  Zr  Zr51  1  0.560149  0.114454  0.695995  1
  Zr  Zr52  1  0.060149  0.114454  0.695995  1
  Zr  Zr53  1  0.433659  0.360966  0.723564  1
  Zr  Zr54  1  0.933659  0.360966  0.723564  1
  Zr  Zr55  1  0.807170  0.607479  0.695995  1
  Zr  Zr56  1  0.307170  0.607479  0.695995  1
