# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38216337
_cell_length_b   9.97951976
_cell_length_c   48.57186576
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr56
_cell_volume   2934.83439622
_cell_formula_units_Z   56
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  0.445617  0.503631  0.290028  1
  Zr  Zr2  1  0.669029  0.949822  0.317552  1
  Zr  Zr3  1  0.781163  0.675182  0.333410  1
  Zr  Zr4  1  0.557703  0.226973  0.303169  1
  Zr  Zr5  1  0.281163  0.675182  0.333410  1
  Zr  Zr6  1  0.057703  0.226973  0.303169  1
  Zr  Zr7  1  0.945617  0.503631  0.290028  1
  Zr  Zr8  1  0.169029  0.949822  0.317552  1
  Zr  Zr9  1  0.890111  0.393232  0.349383  1
  Zr  Zr10  1  0.110515  0.835488  0.380217  1
  Zr  Zr11  1  0.220823  0.556723  0.396340  1
  Zr  Zr12  1  0.999363  0.112331  0.364144  1
  Zr  Zr13  1  0.720823  0.556723  0.396340  1
  Zr  Zr14  1  0.499363  0.112331  0.364144  1
  Zr  Zr15  1  0.390111  0.393232  0.349383  1
  Zr  Zr16  1  0.610515  0.835488  0.380217  1
  Zr  Zr17  1  0.330477  0.276691  0.411677  1
  Zr  Zr18  1  0.551676  0.720520  0.443316  1
  Zr  Zr19  1  0.661587  0.440998  0.458932  1
  Zr  Zr20  1  0.441155  0.998821  0.427417  1
  Zr  Zr21  1  0.161587  0.440998  0.458932  1
  Zr  Zr22  1  0.941155  0.998821  0.427417  1
  Zr  Zr23  1  0.830477  0.276691  0.411677  1
  Zr  Zr24  1  0.051676  0.720520  0.443316  1
  Zr  Zr25  1  0.772002  0.162541  0.474655  1
  Zr  Zr26  1  0.992503  0.604900  0.506096  1
  Zr  Zr27  1  0.102938  0.326457  0.521882  1
  Zr  Zr28  1  0.882437  0.884098  0.490441  1
  Zr  Zr29  1  0.602938  0.326457  0.521882  1
  Zr  Zr30  1  0.382437  0.884098  0.490441  1
  Zr  Zr31  1  0.272002  0.162541  0.474655  1
  Zr  Zr32  1  0.492503  0.604900  0.506096  1
  Zr  Zr33  1  0.213353  0.048000  0.537605  1
  Zr  Zr34  1  0.433785  0.490177  0.569121  1
  Zr  Zr35  1  0.544463  0.212307  0.584861  1
  Zr  Zr36  1  0.323264  0.768478  0.553221  1
  Zr  Zr37  1  0.044463  0.212307  0.584861  1
  Zr  Zr38  1  0.823264  0.768478  0.553221  1
  Zr  Zr39  1  0.713353  0.048000  0.537605  1
  Zr  Zr40  1  0.933785  0.490177  0.569121  1
  Zr  Zr41  1  0.654117  0.932275  0.600198  1
  Zr  Zr42  1  0.875577  0.376666  0.632394  1
  Zr  Zr43  1  0.984829  0.095766  0.647155  1
  Zr  Zr44  1  0.764426  0.653510  0.616320  1
  Zr  Zr45  1  0.484829  0.095766  0.647155  1
  Zr  Zr46  1  0.264426  0.653510  0.616320  1
  Zr  Zr47  1  0.154117  0.932275  0.600198  1
  Zr  Zr48  1  0.375577  0.376666  0.632394  1
  Zr  Zr49  1  0.093777  0.813816  0.663128  1
  Zr  Zr50  1  0.317237  0.262024  0.693368  1
  Zr  Zr51  1  0.429323  0.985367  0.706509  1
  Zr  Zr52  1  0.205911  0.539176  0.678985  1
  Zr  Zr53  1  0.929323  0.985367  0.706509  1
  Zr  Zr54  1  0.705911  0.539176  0.678985  1
  Zr  Zr55  1  0.593777  0.813816  0.663128  1
  Zr  Zr56  1  0.817237  0.262024  0.693368  1
