# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13887554
_cell_length_b   7.63334459
_cell_length_c   48.64739040
_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   1810.35510264
_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  0.533721  0.707513  0.293220  1
  Zr  Zr2  1  0.737627  0.116269  0.311046  1
  Zr  Zr3  1  0.915660  0.469836  0.271487  1
  Zr  Zr4  1  0.129424  0.904938  0.286141  1
  Zr  Zr5  1  0.958437  0.559154  0.330934  1
  Zr  Zr6  1  0.177128  0.997233  0.348843  1
  Zr  Zr7  1  0.337749  0.319599  0.305078  1
  Zr  Zr8  1  0.579946  0.798424  0.356471  1
  Zr  Zr9  1  0.382569  0.411180  0.368921  1
  Zr  Zr10  1  0.625752  0.889945  0.420062  1
  Zr  Zr11  1  0.785546  0.212472  0.375566  1
  Zr  Zr12  1  0.004315  0.650831  0.394505  1
  Zr  Zr13  1  0.831336  0.304196  0.439442  1
  Zr  Zr14  1  0.049855  0.742035  0.458180  1
  Zr  Zr15  1  0.222546  0.088088  0.412977  1
  Zr  Zr16  1  0.428454  0.502979  0.432581  1
  Zr  Zr17  1  0.268251  0.179574  0.476827  1
  Zr  Zr18  1  0.474001  0.594187  0.496283  1
  Zr  Zr19  1  0.671297  0.981102  0.483811  1
  Zr  Zr20  1  0.877047  0.395715  0.503267  1
  Zr  Zr21  1  0.716844  0.072310  0.547514  1
  Zr  Zr22  1  0.922752  0.487202  0.567117  1
  Zr  Zr23  1  0.095443  0.833254  0.521914  1
  Zr  Zr24  1  0.313962  0.271093  0.540652  1
  Zr  Zr25  1  0.140983  0.924459  0.585590  1
  Zr  Zr26  1  0.359752  0.362818  0.604528  1
  Zr  Zr27  1  0.519547  0.685344  0.560032  1
  Zr  Zr28  1  0.762729  0.164109  0.611174  1
  Zr  Zr29  1  0.565352  0.776866  0.623623  1
  Zr  Zr30  1  0.807549  0.255691  0.675016  1
  Zr  Zr31  1  0.968170  0.578056  0.631252  1
  Zr  Zr32  1  0.186861  1.016135  0.649160  1
  Zr  Zr33  1  0.015874  0.670352  0.693953  1
  Zr  Zr34  1  0.229638  0.105454  0.708607  1
  Zr  Zr35  1  0.407671  0.459020  0.669049  1
  Zr  Zr36  1  0.611577  0.867776  0.686875  1
