# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16688510
_cell_length_b   13.97594610
_cell_length_c   46.47140013
_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   Zr66
_cell_volume   3355.79774604
_cell_formula_units_Z   66
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  0.251814  0.754048  0.304897  1
  Zr  Zr2  1  0.251814  0.543228  0.278306  1
  Zr  Zr3  1  0.251814  0.147308  0.291655  1
  Zr  Zr4  1  0.751814  0.886817  0.299769  1
  Zr  Zr5  1  0.751814  0.674810  0.274004  1
  Zr  Zr6  1  0.751814  0.279845  0.287105  1
  Zr  Zr7  1  0.251814  0.568384  0.346840  1
  Zr  Zr8  1  0.251814  0.357323  0.318538  1
  Zr  Zr9  1  0.251814  0.962799  0.332354  1
  Zr  Zr10  1  0.751814  0.701920  0.342013  1
  Zr  Zr11  1  0.751814  0.490343  0.314035  1
  Zr  Zr12  1  0.751814  0.095805  0.327522  1
  Zr  Zr13  1  0.251814  0.384052  0.388458  1
  Zr  Zr14  1  0.251814  0.173319  0.360480  1
  Zr  Zr15  1  0.251814  0.779389  0.374606  1
  Zr  Zr16  1  0.751814  0.517575  0.383799  1
  Zr  Zr17  1  0.751814  0.306659  0.355848  1
  Zr  Zr18  1  0.751814  0.912741  0.369515  1
  Zr  Zr19  1  0.251814  0.199944  0.430051  1
  Zr  Zr20  1  0.251814  0.989492  0.402314  1
  Zr  Zr21  1  0.251814  0.594851  0.416236  1
  Zr  Zr22  1  0.751814  0.333504  0.425342  1
  Zr  Zr23  1  0.751814  0.122955  0.397529  1
  Zr  Zr24  1  0.751814  0.728460  0.411368  1
  Zr  Zr25  1  0.251814  0.015887  0.471815  1
  Zr  Zr26  1  0.251814  0.805350  0.444069  1
  Zr  Zr27  1  0.251814  0.410612  0.457938  1
  Zr  Zr28  1  0.751814  0.149469  0.467025  1
  Zr  Zr29  1  0.751814  0.938908  0.439139  1
  Zr  Zr30  1  0.751814  0.544237  0.453177  1
  Zr  Zr31  1  0.251814  0.831736  0.513569  1
  Zr  Zr32  1  0.251814  0.621208  0.485780  1
  Zr  Zr33  1  0.251814  0.226475  0.499608  1
  Zr  Zr34  1  0.751814  0.965341  0.508695  1
  Zr  Zr35  1  0.751814  0.754813  0.480907  1
  Zr  Zr36  1  0.751814  0.360075  0.494867  1
  Zr  Zr37  1  0.251814  0.647641  0.555336  1
  Zr  Zr38  1  0.251814  0.437080  0.527450  1
  Zr  Zr39  1  0.251814  0.042313  0.541299  1
  Zr  Zr40  1  0.751814  0.781200  0.550407  1
  Zr  Zr41  1  0.751814  0.570662  0.522661  1
  Zr  Zr42  1  0.751814  0.175938  0.536538  1
  Zr  Zr43  1  0.251814  0.463594  0.596947  1
  Zr  Zr44  1  0.251814  0.253046  0.569133  1
  Zr  Zr45  1  0.251814  0.858089  0.583108  1
  Zr  Zr46  1  0.751814  0.597057  0.592162  1
  Zr  Zr47  1  0.751814  0.386606  0.564425  1
  Zr  Zr48  1  0.751814  0.991698  0.578240  1
  Zr  Zr49  1  0.251814  0.279890  0.638627  1
  Zr  Zr50  1  0.251814  0.068974  0.610676  1
  Zr  Zr51  1  0.251814  0.673809  0.624960  1
  Zr  Zr52  1  0.751814  0.413231  0.633996  1
  Zr  Zr53  1  0.751814  0.202497  0.606018  1
  Zr  Zr54  1  0.751814  0.807160  0.619869  1
  Zr  Zr55  1  0.251814  0.096207  0.680441  1
  Zr  Zr56  1  0.251814  0.884630  0.652463  1
  Zr  Zr57  1  0.251814  0.490744  0.666953  1
  Zr  Zr58  1  0.751814  0.229226  0.675937  1
  Zr  Zr59  1  0.751814  0.018166  0.647636  1
  Zr  Zr60  1  0.751814  0.623750  0.662121  1
  Zr  Zr61  1  0.251814  0.911740  0.720472  1
  Zr  Zr62  1  0.251814  0.699733  0.694706  1
  Zr  Zr63  1  0.251814  0.306705  0.707370  1
  Zr  Zr64  1  0.751814  0.043322  0.716169  1
  Zr  Zr65  1  0.751814  0.832502  0.689578  1
  Zr  Zr66  1  0.751814  0.439241  0.702821  1
