# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46790251
_cell_length_b   10.80045672
_cell_length_c   46.38741073
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.78456253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr52
_cell_volume   2648.75056471
_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  0.773818  0.186104  0.285949  1
  Zr  Zr2  1  0.024769  0.672645  0.300713  1
  Zr  Zr3  1  0.319418  0.944988  0.279566  1
  Zr  Zr4  1  0.552714  0.429020  0.293926  1
  Zr  Zr5  1  0.261118  0.163733  0.318577  1
  Zr  Zr6  1  0.510214  0.651781  0.334534  1
  Zr  Zr7  1  0.799356  0.915059  0.309189  1
  Zr  Zr8  1  0.040881  0.407438  0.326704  1
  Zr  Zr9  1  0.748572  0.137865  0.352548  1
  Zr  Zr10  1  0.995349  0.627250  0.369431  1
  Zr  Zr11  1  0.285485  0.894334  0.344730  1
  Zr  Zr12  1  0.529817  0.383570  0.361262  1
  Zr  Zr13  1  0.237858  0.115882  0.387251  1
  Zr  Zr14  1  0.482878  0.604134  0.404151  1
  Zr  Zr15  1  0.773551  0.871097  0.378437  1
  Zr  Zr16  1  0.016746  0.359631  0.395671  1
  Zr  Zr17  1  0.726154  0.092035  0.421815  1
  Zr  Zr18  1  0.970818  0.580403  0.438992  1
  Zr  Zr19  1  0.260830  0.847776  0.413317  1
  Zr  Zr20  1  0.504788  0.336537  0.430484  1
  Zr  Zr21  1  0.214580  0.068774  0.456572  1
  Zr  Zr22  1  0.458884  0.557143  0.473773  1
  Zr  Zr23  1  0.748755  0.824436  0.447876  1
  Zr  Zr24  1  0.992704  0.312891  0.465147  1
  Zr  Zr25  1  0.702741  0.045209  0.491238  1
  Zr  Zr26  1  0.946986  0.533683  0.508498  1
  Zr  Zr27  1  0.236685  0.801070  0.482636  1
  Zr  Zr28  1  0.480929  0.289544  0.499896  1
  Zr  Zr29  1  0.190966  0.021862  0.525987  1
  Zr  Zr30  1  0.434916  0.510316  0.543258  1
  Zr  Zr31  1  0.724787  0.777610  0.517361  1
  Zr  Zr32  1  0.969090  0.265978  0.534561  1
  Zr  Zr33  1  0.678882  0.998215  0.560650  1
  Zr  Zr34  1  0.922840  0.486976  0.577817  1
  Zr  Zr35  1  0.212853  0.754349  0.552142  1
  Zr  Zr36  1  0.457517  0.242718  0.569319  1
  Zr  Zr37  1  0.166925  0.975121  0.595463  1
  Zr  Zr38  1  0.410120  0.463655  0.612697  1
  Zr  Zr39  1  0.700793  0.730618  0.586983  1
  Zr  Zr40  1  0.945812  0.218871  0.603883  1
  Zr  Zr41  1  0.653854  0.951183  0.629872  1
  Zr  Zr42  1  0.898186  0.440419  0.646404  1
  Zr  Zr43  1  0.188322  0.707502  0.621703  1
  Zr  Zr44  1  0.435099  0.196888  0.638586  1
  Zr  Zr45  1  0.142789  0.927315  0.664430  1
  Zr  Zr46  1  0.384315  0.419693  0.681945  1
  Zr  Zr47  1  0.673457  0.682971  0.656600  1
  Zr  Zr48  1  0.922552  0.171019  0.672557  1
  Zr  Zr49  1  0.630956  0.905732  0.697207  1
  Zr  Zr50  1  0.864252  0.389765  0.711568  1
  Zr  Zr51  1  0.158902  0.662108  0.690421  1
  Zr  Zr52  1  0.409853  0.148648  0.705185  1
