# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20645384
_cell_length_b   9.97047388
_cell_length_c   48.74609526
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.70179727
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr30
_cell_volume   1537.92981944
_cell_formula_units_Z   30
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  0.783387  0.440405  0.288538  1
  Zr  Zr2  1  0.403410  0.200828  0.318013  1
  Zr  Zr3  1  0.024626  0.958465  0.348642  1
  Zr  Zr4  1  0.254726  0.499059  0.343740  1
  Zr  Zr5  1  0.014398  0.979830  0.283872  1
  Zr  Zr6  1  0.635404  0.738390  0.312635  1
  Zr  Zr7  1  0.644808  0.717845  0.379058  1
  Zr  Zr8  1  0.265612  0.476133  0.409238  1
  Zr  Zr9  1  0.886377  0.234518  0.439565  1
  Zr  Zr10  1  0.117385  0.773502  0.434731  1
  Zr  Zr11  1  0.875884  0.256655  0.374096  1
  Zr  Zr12  1  0.496656  0.015089  0.404334  1
  Zr  Zr13  1  0.507098  0.992959  0.469886  1
  Zr  Zr14  1  0.127884  0.751275  0.500209  1
  Zr  Zr15  1  0.748636  0.509669  0.530519  1
  Zr  Zr16  1  0.979718  0.048505  0.525632  1
  Zr  Zr17  1  0.738179  0.531796  0.464998  1
  Zr  Zr18  1  0.358932  0.290189  0.495309  1
  Zr  Zr19  1  0.369431  0.267962  0.560787  1
  Zr  Zr20  1  0.990159  0.026375  0.591184  1
  Zr  Zr21  1  0.610932  0.784810  0.621422  1
  Zr  Zr22  1  0.842007  0.323619  0.616460  1
  Zr  Zr23  1  0.600439  0.806947  0.555953  1
  Zr  Zr24  1  0.221203  0.565331  0.586280  1
  Zr  Zr25  1  0.232089  0.542405  0.651778  1
  Zr  Zr26  1  0.851412  0.303074  0.682883  1
  Zr  Zr27  1  0.472418  0.061634  0.711646  1
  Zr  Zr28  1  0.703428  0.601059  0.706980  1
  Zr  Zr29  1  0.462189  0.083000  0.646875  1
  Zr  Zr30  1  0.083406  0.840636  0.677505  1
