# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55581925
_cell_length_b   6.07398859
_cell_length_c   46.53289054
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.25411187
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr26
_cell_volume   1395.97034454
_cell_formula_units_Z   26
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  0.391951  0.933229  0.305027  1
  Zr  Zr2  1  0.828150  0.476927  0.290528  1
  Zr  Zr3  1  0.849351  0.851629  0.338365  1
  Zr  Zr4  1  0.282995  0.391461  0.321357  1
  Zr  Zr5  1  0.302289  0.758178  0.371855  1
  Zr  Zr6  1  0.736536  0.303103  0.355381  1
  Zr  Zr7  1  0.757953  0.670064  0.405369  1
  Zr  Zr8  1  0.192056  0.213958  0.388721  1
  Zr  Zr9  1  0.213541  0.581362  0.438677  1
  Zr  Zr10  1  0.647416  0.125537  0.422009  1
  Zr  Zr11  1  0.669164  0.492598  0.472102  1
  Zr  Zr12  1  0.102982  0.036974  0.455450  1
  Zr  Zr13  1  0.124807  0.404118  0.505493  1
  Zr  Zr14  1  0.558544  0.948222  0.488800  1
  Zr  Zr15  1  0.580370  0.315366  0.538844  1
  Zr  Zr16  1  0.014187  0.859742  0.522191  1
  Zr  Zr17  1  0.035936  0.226804  0.572285  1
  Zr  Zr18  1  0.469810  0.770979  0.555616  1
  Zr  Zr19  1  0.491296  0.138383  0.605572  1
  Zr  Zr20  1  0.925398  0.682277  0.588925  1
  Zr  Zr21  1  0.946816  0.049237  0.638913  1
  Zr  Zr22  1  0.381062  0.594162  0.622439  1
  Zr  Zr23  1  0.400356  0.960880  0.672936  1
  Zr  Zr24  1  0.834000  0.500712  0.655928  1
  Zr  Zr25  1  0.855201  0.875414  0.703766  1
  Zr  Zr26  1  0.291400  0.419111  0.689266  1
