# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20786610
_cell_length_b   8.46114466
_cell_length_c   47.59686829
_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   Zr42
_cell_volume   2097.33260339
_cell_formula_units_Z   42
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  0.250705  0.156422  0.280802  1
  Zr  Zr2  1  0.250705  0.795401  0.301288  1
  Zr  Zr3  1  0.250705  0.440051  0.324665  1
  Zr  Zr4  1  0.750705  0.214620  0.316939  1
  Zr  Zr5  1  0.750705  0.939011  0.273750  1
  Zr  Zr6  1  0.750705  0.567929  0.293829  1
  Zr  Zr7  1  0.250705  0.077843  0.345994  1
  Zr  Zr8  1  0.250705  0.720499  0.368626  1
  Zr  Zr9  1  0.250705  0.361881  0.391006  1
  Zr  Zr10  1  0.750705  0.144333  0.383391  1
  Zr  Zr11  1  0.750705  0.857255  0.337996  1
  Zr  Zr12  1  0.750705  0.502244  0.360805  1
  Zr  Zr13  1  0.250705  0.004821  0.413121  1
  Zr  Zr14  1  0.250705  0.647759  0.435367  1
  Zr  Zr15  1  0.250705  0.290334  0.457638  1
  Zr  Zr16  1  0.750705  0.073681  0.449956  1
  Zr  Zr17  1  0.750705  0.787862  0.405337  1
  Zr  Zr18  1  0.750705  0.431010  0.427722  1
  Zr  Zr19  1  0.250705  0.933197  0.479895  1
  Zr  Zr20  1  0.250705  0.576048  0.502108  1
  Zr  Zr21  1  0.250705  0.218895  0.524392  1
  Zr  Zr22  1  0.750705  1.002343  0.516685  1
  Zr  Zr23  1  0.750705  0.716646  0.472187  1
  Zr  Zr24  1  0.750705  0.359492  0.494471  1
  Zr  Zr25  1  0.250705  0.861860  0.546624  1
  Zr  Zr26  1  0.250705  0.504530  0.568858  1
  Zr  Zr27  1  0.250705  0.147679  0.591243  1
  Zr  Zr28  1  0.750705  0.930720  0.583458  1
  Zr  Zr29  1  0.750705  0.645206  0.538942  1
  Zr  Zr30  1  0.750705  0.287781  0.561213  1
  Zr  Zr31  1  0.250705  0.791207  0.613188  1
  Zr  Zr32  1  0.250705  0.433297  0.635775  1
  Zr  Zr33  1  0.250705  0.078285  0.658584  1
  Zr  Zr34  1  0.750705  0.857698  0.650586  1
  Zr  Zr35  1  0.750705  0.573659  0.605574  1
  Zr  Zr36  1  0.750705  0.215042  0.627954  1
  Zr  Zr37  1  0.250705  0.720921  0.679640  1
  Zr  Zr38  1  0.250705  0.367612  0.702751  1
  Zr  Zr39  1  0.250705  0.996529  0.722830  1
  Zr  Zr40  1  0.750705  0.779119  0.715778  1
  Zr  Zr41  1  0.750705  0.495489  0.671915  1
  Zr  Zr42  1  0.750705  0.140140  0.695292  1
