# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48514904
_cell_length_b   6.11196264
_cell_length_c   48.78585410
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.69826693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr48
_cell_volume   2517.57678369
_cell_formula_units_Z   48
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  0.496432  0.870362  0.285918  1
  Zr  Zr2  1  0.837860  0.776302  0.303069  1
  Zr  Zr3  1  0.189139  0.693768  0.320117  1
  Zr  Zr4  1  0.392125  0.356963  0.288544  1
  Zr  Zr5  1  0.737590  0.272914  0.305496  1
  Zr  Zr6  1  0.090102  0.179869  0.323008  1
  Zr  Zr7  1  0.541555  0.602168  0.340460  1
  Zr  Zr8  1  0.894557  0.512448  0.358853  1
  Zr  Zr9  1  0.244901  0.422493  0.376524  1
  Zr  Zr10  1  0.440418  0.087689  0.343144  1
  Zr  Zr11  1  0.790579  0.998560  0.360647  1
  Zr  Zr12  1  0.139684  0.908499  0.379440  1
  Zr  Zr13  1  0.596860  0.331718  0.395603  1
  Zr  Zr14  1  0.947507  0.242133  0.413938  1
  Zr  Zr15  1  0.297915  0.153353  0.432342  1
  Zr  Zr16  1  0.490486  0.818220  0.398620  1
  Zr  Zr17  1  0.840784  0.729482  0.416869  1
  Zr  Zr18  1  0.190995  0.638877  0.435265  1
  Zr  Zr19  1  0.648963  0.063446  0.451173  1
  Zr  Zr20  1  0.999748  0.973687  0.469576  1
  Zr  Zr21  1  0.350220  0.884038  0.487988  1
  Zr  Zr22  1  0.541996  0.548856  0.454062  1
  Zr  Zr23  1  0.892741  0.459482  0.472476  1
  Zr  Zr24  1  0.243290  0.369854  0.490974  1
  Zr  Zr25  1  0.701112  0.794084  0.506697  1
  Zr  Zr26  1  0.051660  0.704456  0.525195  1
  Zr  Zr27  1  0.402405  0.615082  0.543609  1
  Zr  Zr28  1  0.594182  0.279901  0.509683  1
  Zr  Zr29  1  0.944654  0.190252  0.528095  1
  Zr  Zr30  1  0.295439  0.100493  0.546498  1
  Zr  Zr31  1  0.753407  0.525062  0.562406  1
  Zr  Zr32  1  0.103617  0.434457  0.580802  1
  Zr  Zr33  1  0.453916  0.345718  0.599051  1
  Zr  Zr34  1  0.646486  0.010585  0.565329  1
  Zr  Zr35  1  0.996895  0.921806  0.583733  1
  Zr  Zr36  1  0.347542  0.832220  0.602068  1
  Zr  Zr37  1  0.804718  0.255439  0.618231  1
  Zr  Zr38  1  0.153823  0.165378  0.637025  1
  Zr  Zr39  1  0.503984  0.076249  0.654527  1
  Zr  Zr40  1  0.699501  0.741446  0.621147  1
  Zr  Zr41  1  0.049845  0.651490  0.638818  1
  Zr  Zr42  1  0.402847  0.561771  0.657211  1
  Zr  Zr43  1  0.854299  0.984069  0.674663  1
  Zr  Zr44  1  0.206812  0.891025  0.692175  1
  Zr  Zr45  1  0.552277  0.806976  0.709127  1
  Zr  Zr46  1  0.755262  0.470170  0.677554  1
  Zr  Zr47  1  0.106541  0.387637  0.694602  1
  Zr  Zr48  1  0.447969  0.293576  0.711753  1
