# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28382629
_cell_length_b   8.56036059
_cell_length_c   49.28562865
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr28
_cell_volume   1385.45535098
_cell_formula_units_Z   28
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  0.522319  0.192996  0.273519  1
  Zr  Zr2  1  0.522319  0.833726  0.261269  1
  Zr  Zr3  1  0.022319  0.515109  0.268222  1
  Zr  Zr4  1  0.022319  0.961828  0.311704  1
  Zr  Zr5  1  0.522319  0.093048  0.361034  1
  Zr  Zr6  1  0.522319  0.648746  0.318465  1
  Zr  Zr7  1  0.022319  0.331182  0.324534  1
  Zr  Zr8  1  0.022319  0.782637  0.370046  1
  Zr  Zr9  1  0.522319  0.914725  0.422137  1
  Zr  Zr10  1  0.522319  0.465359  0.375965  1
  Zr  Zr11  1  0.022319  0.216097  0.409379  1
  Zr  Zr12  1  0.022319  0.604342  0.426641  1
  Zr  Zr13  1  0.522319  0.723719  0.480442  1
  Zr  Zr14  1  0.522319  0.347695  0.453960  1
  Zr  Zr15  1  0.022319  0.052435  0.474048  1
  Zr  Zr16  1  0.022319  0.428459  0.500531  1
  Zr  Zr17  1  0.522319  0.560057  0.545112  1
  Zr  Zr18  1  0.522319  0.171813  0.527849  1
  Zr  Zr19  1  0.022319  0.861429  0.532354  1
  Zr  Zr20  1  0.022319  0.310795  0.578525  1
  Zr  Zr21  1  0.522319  0.444972  0.629957  1
  Zr  Zr22  1  0.522319  0.993518  0.584444  1
  Zr  Zr23  1  0.022319  0.683106  0.593457  1
  Zr  Zr24  1  0.022319  0.127408  0.636025  1
  Zr  Zr25  1  0.522319  0.261045  0.686269  1
  Zr  Zr26  1  0.522319  0.814326  0.642787  1
  Zr  Zr27  1  0.022319  0.583158  0.680972  1
  Zr  Zr28  1  0.022319  0.942428  0.693221  1
