# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20393507
_cell_length_b   10.91188820
_cell_length_c   48.60714935
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.51788466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr32
_cell_volume   1680.76602716
_cell_formula_units_Z   32
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  0.003099  0.998974  0.315316  1
  Zr  Zr2  1  0.241107  0.523401  0.288742  1
  Zr  Zr3  1  0.633246  0.739013  0.320461  1
  Zr  Zr4  1  0.868771  0.268922  0.293522  1
  Zr  Zr5  1  0.538597  0.928004  0.370763  1
  Zr  Zr6  1  0.771749  0.461897  0.343133  1
  Zr  Zr7  1  0.166774  0.671972  0.376160  1
  Zr  Zr8  1  0.399362  0.207083  0.349131  1
  Zr  Zr9  1  0.071856  0.861395  0.426671  1
  Zr  Zr10  1  0.304973  0.395267  0.399187  1
  Zr  Zr11  1  0.699877  0.605658  0.431846  1
  Zr  Zr12  1  0.933630  0.138270  0.404170  1
  Zr  Zr13  1  0.605220  0.794544  0.482399  1
  Zr  Zr14  1  0.838628  0.327807  0.454723  1
  Zr  Zr15  1  0.233385  0.538514  0.487413  1
  Zr  Zr16  1  0.466836  0.071695  0.459700  1
  Zr  Zr17  1  0.138561  0.727725  0.538012  1
  Zr  Zr18  1  0.372012  0.260905  0.510299  1
  Zr  Zr19  1  0.766769  0.471613  0.542988  1
  Zr  Zr20  1  1.000177  0.004875  0.515313  1
  Zr  Zr21  1  0.671767  0.661149  0.593542  1
  Zr  Zr22  1  0.905520  0.193761  0.565866  1
  Zr  Zr23  1  0.300424  0.404153  0.598525  1
  Zr  Zr24  1  0.533541  0.938024  0.571041  1
  Zr  Zr25  1  0.206035  0.592337  0.648581  1
  Zr  Zr26  1  0.438623  0.127448  0.621551  1
  Zr  Zr27  1  0.833648  0.337522  0.654578  1
  Zr  Zr28  1  0.066800  0.871415  0.626948  1
  Zr  Zr29  1  0.736626  0.530497  0.704189  1
  Zr  Zr30  1  0.972151  0.060407  0.677250  1
  Zr  Zr31  1  0.364290  0.276019  0.708969  1
  Zr  Zr32  1  0.602298  0.800445  0.682396  1
