# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34909489
_cell_length_b   6.34909489
_cell_length_c   47.06216046
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr32
_cell_volume   1642.95673524
_cell_formula_units_Z   32
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  0.253168  0.255860  0.294132  1
  Zr  Zr2  1  0.419360  0.422052  0.348160  1
  Zr  Zr3  1  0.253168  0.754436  0.294132  1
  Zr  Zr4  1  0.751743  0.255860  0.294132  1
  Zr  Zr5  1  0.918362  0.921055  0.346578  1
  Zr  Zr6  1  0.086026  0.088719  0.402917  1
  Zr  Zr7  1  0.918362  0.424047  0.346578  1
  Zr  Zr8  1  0.421354  0.921055  0.346578  1
  Zr  Zr9  1  0.586821  0.589514  0.403019  1
  Zr  Zr10  1  0.752693  0.755386  0.459262  1
  Zr  Zr11  1  0.586821  0.087128  0.403019  1
  Zr  Zr12  1  0.084436  0.589514  0.403019  1
  Zr  Zr13  1  0.252612  0.255305  0.459013  1
  Zr  Zr14  1  0.419360  0.422052  0.515003  1
  Zr  Zr15  1  0.252612  0.755548  0.459013  1
  Zr  Zr16  1  0.752855  0.255305  0.459013  1
  Zr  Zr17  1  0.919601  0.922294  0.515211  1
  Zr  Zr18  1  0.086026  0.088719  0.571602  1
  Zr  Zr19  1  0.919601  0.421569  0.515211  1
  Zr  Zr20  1  0.418876  0.922294  0.515211  1
  Zr  Zr21  1  0.585631  0.588324  0.571119  1
  Zr  Zr22  1  0.752693  0.755386  0.626515  1
  Zr  Zr23  1  0.585631  0.089509  0.571119  1
  Zr  Zr24  1  0.086817  0.588324  0.571119  1
  Zr  Zr25  1  0.253991  0.256684  0.627607  1
  Zr  Zr26  1  0.419360  0.422052  0.684504  1
  Zr  Zr27  1  0.253991  0.752789  0.627607  1
  Zr  Zr28  1  0.750096  0.256684  0.627607  1
  Zr  Zr29  1  0.916921  0.919613  0.681730  1
  Zr  Zr30  1  0.086026  0.088719  0.729620  1
  Zr  Zr31  1  0.916921  0.426930  0.681730  1
  Zr  Zr32  1  0.424237  0.919613  0.681730  1
