# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54133533
_cell_length_b   10.74406844
_cell_length_c   46.52451569
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.98849488
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr52
_cell_volume   2675.66781592
_cell_formula_units_Z   52
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  0.639209  0.937552  0.281940  1
  Zr  Zr2  1  0.883862  0.422905  0.296670  1
  Zr  Zr3  1  0.422824  0.178299  0.288661  1
  Zr  Zr4  1  0.661331  0.666682  0.303935  1
  Zr  Zr5  1  0.129517  0.908578  0.311494  1
  Zr  Zr6  1  0.377932  0.401094  0.328724  1
  Zr  Zr7  1  0.911056  0.157186  0.320446  1
  Zr  Zr8  1  0.152580  0.644645  0.336918  1
  Zr  Zr9  1  0.620397  0.887570  0.346694  1
  Zr  Zr10  1  0.863273  0.376318  0.363522  1
  Zr  Zr11  1  0.399013  0.131286  0.354891  1
  Zr  Zr12  1  0.643775  0.619612  0.371901  1
  Zr  Zr13  1  0.106225  0.863014  0.380805  1
  Zr  Zr14  1  0.350017  0.351639  0.398304  1
  Zr  Zr15  1  0.889945  0.107645  0.389711  1
  Zr  Zr16  1  0.133659  0.595733  0.406804  1
  Zr  Zr17  1  0.593928  0.839372  0.415713  1
  Zr  Zr18  1  0.837807  0.327603  0.432894  1
  Zr  Zr19  1  0.378085  0.083376  0.424200  1
  Zr  Zr20  1  0.622084  0.571589  0.441459  1
  Zr  Zr21  1  0.081917  0.815464  0.450258  1
  Zr  Zr22  1  0.325953  0.303503  0.467574  1
  Zr  Zr23  1  0.866303  0.059530  0.458947  1
  Zr  Zr24  1  0.110252  0.547564  0.476192  1
  Zr  Zr25  1  0.570000  0.791439  0.484980  1
  Zr  Zr26  1  0.814015  0.279559  0.502250  1
  Zr  Zr27  1  0.354377  0.035469  0.493573  1
  Zr  Zr28  1  0.598392  0.523589  0.510843  1
  Zr  Zr29  1  0.058139  0.767464  0.519631  1
  Zr  Zr30  1  0.302089  0.255498  0.536876  1
  Zr  Zr31  1  0.842438  0.011526  0.528249  1
  Zr  Zr32  1  0.086475  0.499564  0.545565  1
  Zr  Zr33  1  0.546307  0.743439  0.554364  1
  Zr  Zr34  1  0.790306  0.231652  0.571623  1
  Zr  Zr35  1  0.330585  0.987425  0.562928  1
  Zr  Zr36  1  0.574463  0.475656  0.580109  1
  Zr  Zr37  1  0.034733  0.719295  0.589019  1
  Zr  Zr38  1  0.278446  0.207384  0.606112  1
  Zr  Zr39  1  0.818375  0.963390  0.597519  1
  Zr  Zr40  1  0.062167  0.452015  0.615018  1
  Zr  Zr41  1  0.524616  0.695417  0.623922  1
  Zr  Zr42  1  0.769378  0.183742  0.640931  1
  Zr  Zr43  1  0.305118  0.938711  0.632301  1
  Zr  Zr44  1  0.547994  0.427458  0.649129  1
  Zr  Zr45  1  0.015812  0.670383  0.658905  1
  Zr  Zr46  1  0.257336  0.157843  0.675377  1
  Zr  Zr47  1  0.790459  0.913934  0.667098  1
  Zr  Zr48  1  0.038875  0.406450  0.684329  1
  Zr  Zr49  1  0.507061  0.648347  0.691888  1
  Zr  Zr50  1  0.745568  0.136729  0.707161  1
  Zr  Zr51  1  0.284530  0.892123  0.699153  1
  Zr  Zr52  1  0.529182  0.377476  0.713883  1
