# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20469148
_cell_length_b   10.82430138
_cell_length_c   48.91743195
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.44818976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr32
_cell_volume   1678.00841725
_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  0.008842  0.990554  0.313099  1
  Zr  Zr2  1  0.243198  0.522525  0.286913  1
  Zr  Zr3  1  0.636550  0.735622  0.318479  1
  Zr  Zr4  1  0.871960  0.266102  0.291516  1
  Zr  Zr5  1  0.542980  0.922293  0.369128  1
  Zr  Zr6  1  0.775711  0.457148  0.342000  1
  Zr  Zr7  1  0.171055  0.666581  0.374539  1
  Zr  Zr8  1  0.404588  0.199949  0.346808  1
  Zr  Zr9  1  0.076784  0.854553  0.424852  1
  Zr  Zr10  1  0.309995  0.388296  0.397294  1
  Zr  Zr11  1  0.705161  0.598209  0.430107  1
  Zr  Zr12  1  0.938459  0.131781  0.402274  1
  Zr  Zr13  1  0.610736  0.786473  0.480485  1
  Zr  Zr14  1  0.843882  0.320299  0.452768  1
  Zr  Zr15  1  0.239108  0.530124  0.485668  1
  Zr  Zr16  1  0.472221  0.064011  0.457893  1
  Zr  Zr17  1  0.144647  0.718453  0.536090  1
  Zr  Zr18  1  0.377760  0.252341  0.508314  1
  Zr  Zr19  1  0.772986  0.462166  0.541214  1
  Zr  Zr20  1  0.006132  0.995991  0.513497  1
  Zr  Zr21  1  0.678409  0.650684  0.591708  1
  Zr  Zr22  1  0.911707  0.184256  0.563876  1
  Zr  Zr23  1  0.306873  0.394169  0.596688  1
  Zr  Zr24  1  0.540084  0.927911  0.569130  1
  Zr  Zr25  1  0.212280  0.582515  0.647174  1
  Zr  Zr26  1  0.445813  0.115884  0.619443  1
  Zr  Zr27  1  0.841157  0.325317  0.651982  1
  Zr  Zr28  1  0.073888  0.860172  0.624854  1
  Zr  Zr29  1  0.744908  0.516363  0.702466  1
  Zr  Zr30  1  0.980318  0.046843  0.675503  1
  Zr  Zr31  1  0.373670  0.259940  0.707069  1
  Zr  Zr32  1  0.608026  0.791911  0.680883  1
