# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09460422
_cell_length_b   7.94256193
_cell_length_c   48.03445207
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr36
_cell_volume   1843.93308644
_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  0.514441  0.633714  0.292204  1
  Zr  Zr2  1  0.722178  0.051398  0.317160  1
  Zr  Zr3  1  0.900027  0.403322  0.282909  1
  Zr  Zr4  1  0.115323  0.836515  0.304201  1
  Zr  Zr5  1  0.943317  0.496711  0.343242  1
  Zr  Zr6  1  0.168218  0.949667  0.366533  1
  Zr  Zr7  1  0.334979  0.278035  0.325549  1
  Zr  Zr8  1  0.555574  0.722899  0.355660  1
  Zr  Zr9  1  0.384149  0.384116  0.390757  1
  Zr  Zr10  1  0.605457  0.829631  0.417848  1
  Zr  Zr11  1  0.773928  0.162608  0.380523  1
  Zr  Zr12  1  0.996117  0.609494  0.404717  1
  Zr  Zr13  1  0.825718  0.273028  0.442581  1
  Zr  Zr14  1  0.045711  0.715711  0.467304  1
  Zr  Zr15  1  0.216126  0.052287  0.429449  1
  Zr  Zr16  1  0.435109  0.493121  0.454158  1
  Zr  Zr17  1  0.266094  0.159284  0.492117  1
  Zr  Zr18  1  0.485646  0.601221  0.516952  1
  Zr  Zr19  1  0.656108  0.937954  0.480251  1
  Zr  Zr20  1  0.875659  0.379891  0.505085  1
  Zr  Zr21  1  0.706644  0.046054  0.543045  1
  Zr  Zr22  1  0.925627  0.486888  0.567754  1
  Zr  Zr23  1  0.096042  0.823464  0.529899  1
  Zr  Zr24  1  0.316035  0.266147  0.554622  1
  Zr  Zr25  1  0.145636  0.929681  0.592486  1
  Zr  Zr26  1  0.367826  0.376567  0.616680  1
  Zr  Zr27  1  0.536296  0.709544  0.579355  1
  Zr  Zr28  1  0.757604  0.155060  0.606446  1
  Zr  Zr29  1  0.586179  0.816276  0.641542  1
  Zr  Zr30  1  0.806775  0.261140  0.671654  1
  Zr  Zr31  1  0.973535  0.589508  0.630670  1
  Zr  Zr32  1  0.198436  0.042464  0.653960  1
  Zr  Zr33  1  0.026430  0.702660  0.693001  1
  Zr  Zr34  1  0.241726  0.135853  0.714293  1
  Zr  Zr35  1  0.419575  0.487777  0.680042  1
  Zr  Zr36  1  0.627312  0.905462  0.704998  1
