# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97113081
_cell_length_b   7.95622023
_cell_length_c   46.92586609
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr56
_cell_volume   2915.91356072
_cell_formula_units_Z   56
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  0.842939  0.846714  0.340237  1
  Zr  Zr2  1  0.528980  0.533287  0.285678  1
  Zr  Zr3  1  0.447381  0.919543  0.310407  1
  Zr  Zr4  1  0.915307  0.451557  0.310308  1
  Zr  Zr5  1  0.594840  0.598366  0.346832  1
  Zr  Zr6  1  0.275609  0.279934  0.286086  1
  Zr  Zr7  1  0.181875  0.682376  0.310831  1
  Zr  Zr8  1  0.678430  0.185873  0.310836  1
  Zr  Zr9  1  0.677794  0.680481  0.407675  1
  Zr  Zr10  1  0.347876  0.351312  0.345224  1
  Zr  Zr11  1  0.253657  0.769603  0.373185  1
  Zr  Zr12  1  0.766245  0.256992  0.373214  1
  Zr  Zr13  1  0.427774  0.430674  0.406192  1
  Zr  Zr14  1  0.095815  0.099813  0.337384  1
  Zr  Zr15  1  0.005304  0.517320  0.373295  1
  Zr  Zr16  1  0.514117  0.008570  0.373391  1
  Zr  Zr17  1  0.505289  0.507444  0.468457  1
  Zr  Zr18  1  0.174492  0.177593  0.402660  1
  Zr  Zr19  1  0.087378  0.594086  0.436518  1
  Zr  Zr20  1  0.591550  0.089991  0.436579  1
  Zr  Zr21  1  0.253781  0.256148  0.466464  1
  Zr  Zr22  1  0.924473  0.927447  0.404557  1
  Zr  Zr23  1  0.842069  0.339313  0.436405  1
  Zr  Zr24  1  0.336790  0.844599  0.436365  1
  Zr  Zr25  1  0.332491  0.334073  0.529444  1
  Zr  Zr26  1  0.004634  0.006789  0.467997  1
  Zr  Zr27  1  0.921184  0.419110  0.499622  1
  Zr  Zr28  1  0.417227  0.923019  0.499575  1
  Zr  Zr29  1  0.083907  0.085409  0.531351  1
  Zr  Zr30  1  0.756050  0.758125  0.469903  1
  Zr  Zr31  1  0.671314  0.169179  0.499773  1
  Zr  Zr32  1  0.167357  0.673087  0.499726  1
  Zr  Zr33  1  0.164068  0.164750  0.594791  1
  Zr  Zr34  1  0.834760  0.836050  0.532884  1
  Zr  Zr35  1  0.751751  0.247599  0.562983  1
  Zr  Zr36  1  0.246472  0.752885  0.562943  1
  Zr  Zr37  1  0.914049  0.914604  0.596688  1
  Zr  Zr38  1  0.583252  0.584754  0.530891  1
  Zr  Zr39  1  0.496991  1.002207  0.562769  1
  Zr  Zr40  1  1.001163  0.498112  0.562830  1
  Zr  Zr41  1  0.992726  0.992384  0.661963  1
  Zr  Zr42  1  0.660767  0.661523  0.593156  1
  Zr  Zr43  1  0.574424  0.083627  0.625957  1
  Zr  Zr44  1  0.083237  0.574878  0.626052  1
  Zr  Zr45  1  0.740665  0.740886  0.654124  1
  Zr  Zr46  1  0.410747  0.411717  0.591673  1
  Zr  Zr47  1  0.322296  0.835206  0.626134  1
  Zr  Zr48  1  0.834884  0.322595  0.626163  1
  Zr  Zr49  1  0.812932  0.812264  0.713262  1
  Zr  Zr50  1  0.493701  0.493832  0.652516  1
  Zr  Zr51  1  0.410111  0.906325  0.688512  1
  Zr  Zr52  1  0.906666  0.409822  0.688517  1
  Zr  Zr53  1  0.559561  0.558911  0.713670  1
  Zr  Zr54  1  0.245602  0.245484  0.659111  1
  Zr  Zr55  1  0.173234  0.640640  0.689039  1
  Zr  Zr56  1  0.641160  0.172654  0.688941  1
