# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65089715
_cell_length_b   5.18092644
_cell_length_c   48.01559034
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.74330218
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr36
_cell_volume   1817.60176936
_cell_formula_units_Z   36
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  0.465729  0.530690  0.320355  1
  Zr  Zr2  1  0.039045  0.722419  0.294258  1
  Zr  Zr3  1  0.251352  0.127651  0.306295  1
  Zr  Zr4  1  0.811864  0.331484  0.284802  1
  Zr  Zr5  1  0.348911  0.142985  0.368937  1
  Zr  Zr6  1  0.909970  0.335646  0.344946  1
  Zr  Zr7  1  0.124238  0.742989  0.356580  1
  Zr  Zr8  1  0.690889  0.923075  0.329179  1
  Zr  Zr9  1  0.223674  0.762360  0.419005  1
  Zr  Zr10  1  0.783577  0.953916  0.393867  1
  Zr  Zr11  1  0.005543  0.358110  0.407202  1
  Zr  Zr12  1  0.566919  0.551506  0.381836  1
  Zr  Zr13  1  0.100468  0.379247  0.469555  1
  Zr  Zr14  1  0.661985  0.570874  0.444327  1
  Zr  Zr15  1  0.881434  0.974015  0.456735  1
  Zr  Zr16  1  0.442919  0.166910  0.431941  1
  Zr  Zr17  1  0.977417  0.995422  0.519624  1
  Zr  Zr18  1  0.539282  0.186968  0.494529  1
  Zr  Zr19  1  0.757585  0.591603  0.506924  1
  Zr  Zr20  1  0.319450  0.783149  0.481829  1
  Zr  Zr21  1  0.853948  0.611661  0.569511  1
  Zr  Zr22  1  0.415433  0.804557  0.544717  1
  Zr  Zr23  1  0.634882  0.207698  0.557125  1
  Zr  Zr24  1  0.196399  0.399325  0.531897  1
  Zr  Zr25  1  0.729948  0.227066  0.619617  1
  Zr  Zr26  1  0.291324  0.420461  0.594250  1
  Zr  Zr27  1  0.513290  0.824655  0.607585  1
  Zr  Zr28  1  0.073193  0.016212  0.582447  1
  Zr  Zr29  1  0.605978  0.855496  0.672274  1
  Zr  Zr30  1  0.172629  0.035582  0.644873  1
  Zr  Zr31  1  0.386897  0.442925  0.656506  1
  Zr  Zr32  1  0.947956  0.635587  0.632516  1
  Zr  Zr33  1  0.485003  0.447087  0.716650  1
  Zr  Zr34  1  0.045515  0.650920  0.695157  1
  Zr  Zr35  1  0.257822  0.056153  0.707195  1
  Zr  Zr36  1  0.831138  0.247881  0.681098  1
