# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21018278
_cell_length_b   6.07314019
_cell_length_c   49.43885189
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.66926284
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr18
_cell_volume   929.556355359
_cell_formula_units_Z   18
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  0.509669  0.487162  0.278653  1
  Zr  Zr2  1  0.849307  0.807901  0.318104  1
  Zr  Zr3  1  0.119779  0.266897  0.326763  1
  Zr  Zr4  1  0.462690  0.581130  0.368812  1
  Zr  Zr5  1  0.731319  0.043784  0.376744  1
  Zr  Zr6  1  0.075896  0.354691  0.418814  1
  Zr  Zr7  1  0.343836  0.818714  0.426891  1
  Zr  Zr8  1  0.688615  0.129221  0.468980  1
  Zr  Zr9  1  0.956627  0.593096  0.476997  1
  Zr  Zr10  1  0.301425  0.903565  0.519109  1
  Zr  Zr11  1  0.569437  0.367441  0.527126  1
  Zr  Zr12  1  0.914216  0.677948  0.569215  1
  Zr  Zr13  1  0.182156  0.141971  0.577292  1
  Zr  Zr14  1  0.526733  0.452878  0.619361  1
  Zr  Zr15  1  0.795363  0.915531  0.627294  1
  Zr  Zr16  1  0.138273  0.229765  0.669343  1
  Zr  Zr17  1  0.408745  0.688761  0.678002  1
  Zr  Zr18  1  0.748383  0.009500  0.717453  1
