# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16623498
_cell_length_b   8.37820173
_cell_length_c   47.60308121
_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   2060.44028876
_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  0.253481  0.153197  0.279702  1
  Zr  Zr2  1  0.253481  0.793059  0.299177  1
  Zr  Zr3  1  0.253481  0.440577  0.321756  1
  Zr  Zr4  1  0.753481  0.222100  0.314791  1
  Zr  Zr5  1  0.753481  0.941644  0.273354  1
  Zr  Zr6  1  0.753481  0.575039  0.291933  1
  Zr  Zr7  1  0.253481  0.079018  0.343990  1
  Zr  Zr8  1  0.253481  0.723381  0.366227  1
  Zr  Zr9  1  0.253481  0.365715  0.388446  1
  Zr  Zr10  1  0.753481  0.146934  0.380836  1
  Zr  Zr11  1  0.753481  0.860745  0.336506  1
  Zr  Zr12  1  0.753481  0.505409  0.358528  1
  Zr  Zr13  1  0.253481  0.008753  0.410962  1
  Zr  Zr14  1  0.253481  0.651347  0.433275  1
  Zr  Zr15  1  0.253481  0.294528  0.455603  1
  Zr  Zr16  1  0.753481  0.075563  0.447768  1
  Zr  Zr17  1  0.753481  0.789838  0.403169  1
  Zr  Zr18  1  0.753481  0.432483  0.425376  1
  Zr  Zr19  1  0.253481  0.937338  0.477973  1
  Zr  Zr20  1  0.253481  0.580305  0.500321  1
  Zr  Zr21  1  0.253481  0.223354  0.522633  1
  Zr  Zr22  1  0.753481  1.004361  0.514743  1
  Zr  Zr23  1  0.753481  0.718345  0.470083  1
  Zr  Zr24  1  0.753481  0.361394  0.492395  1
  Zr  Zr25  1  0.253481  0.866136  0.544947  1
  Zr  Zr26  1  0.253481  0.509215  0.567339  1
  Zr  Zr27  1  0.253481  0.151860  0.589546  1
  Zr  Zr28  1  0.753481  0.932945  0.581753  1
  Zr  Zr29  1  0.753481  0.647171  0.537112  1
  Zr  Zr30  1  0.753481  0.290352  0.559440  1
  Zr  Zr31  1  0.253481  0.794764  0.611880  1
  Zr  Zr32  1  0.253481  0.436289  0.634187  1
  Zr  Zr33  1  0.253481  0.080953  0.656210  1
  Zr  Zr34  1  0.753481  0.862680  0.648725  1
  Zr  Zr35  1  0.753481  0.575983  0.604270  1
  Zr  Zr36  1  0.753481  0.218318  0.626488  1
  Zr  Zr37  1  0.253481  0.719599  0.677924  1
  Zr  Zr38  1  0.253481  0.366659  0.700782  1
  Zr  Zr39  1  0.253481  1.000055  0.719361  1
  Zr  Zr40  1  0.753481  0.788502  0.713013  1
  Zr  Zr41  1  0.753481  0.501122  0.670960  1
  Zr  Zr42  1  0.753481  0.148639  0.693539  1
