# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10558412
_cell_length_b   11.03252909
_cell_length_c   49.41567687
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr54
_cell_volume   2712.98297835
_cell_formula_units_Z   54
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  0.102128  0.800206  0.272919  1
  Zr  Zr2  1  0.248705  0.097987  0.286180  1
  Zr  Zr3  1  0.406583  0.414997  0.297171  1
  Zr  Zr4  1  0.683560  0.965564  0.267687  1
  Zr  Zr5  1  0.833694  0.266953  0.304107  1
  Zr  Zr6  1  0.984803  0.568127  0.317747  1
  Zr  Zr7  1  0.563413  0.725845  0.308204  1
  Zr  Zr8  1  0.707660  0.015995  0.327509  1
  Zr  Zr9  1  0.880902  0.359408  0.365063  1
  Zr  Zr10  1  0.136452  0.871488  0.332647  1
  Zr  Zr11  1  0.295022  0.189521  0.345075  1
  Zr  Zr12  1  0.452319  0.503771  0.356368  1
  Zr  Zr13  1  0.028636  0.654925  0.379376  1
  Zr  Zr14  1  0.181138  0.960501  0.392805  1
  Zr  Zr15  1  0.338602  0.275572  0.405251  1
  Zr  Zr16  1  0.601728  0.802828  0.371098  1
  Zr  Zr17  1  0.752116  0.104296  0.385926  1
  Zr  Zr18  1  0.923891  0.444382  0.426098  1
  Zr  Zr19  1  0.493916  0.586122  0.417704  1
  Zr  Zr20  1  0.645415  0.889500  0.431417  1
  Zr  Zr21  1  0.794647  0.188365  0.445462  1
  Zr  Zr22  1  0.072352  0.741624  0.439954  1
  Zr  Zr23  1  0.224455  0.046220  0.453240  1
  Zr  Zr24  1  0.380786  0.358959  0.465862  1
  Zr  Zr25  1  0.966768  0.529274  0.486656  1
  Zr  Zr26  1  0.115461  0.826998  0.500471  1
  Zr  Zr27  1  0.267200  0.130829  0.513867  1
  Zr  Zr28  1  0.536744  0.670951  0.478434  1
  Zr  Zr29  1  0.688483  0.974782  0.491830  1
  Zr  Zr30  1  0.837176  0.272505  0.505646  1
  Zr  Zr31  1  0.423158  0.442820  0.526439  1
  Zr  Zr32  1  0.579489  0.755560  0.539062  1
  Zr  Zr33  1  0.731592  0.060156  0.552348  1
  Zr  Zr34  1  0.009297  0.613415  0.546839  1
  Zr  Zr35  1  0.158529  0.912279  0.560885  1
  Zr  Zr36  1  0.310028  0.215658  0.574597  1
  Zr  Zr37  1  0.880052  0.357398  0.566203  1
  Zr  Zr38  1  0.051827  0.697483  0.606376  1
  Zr  Zr39  1  0.202216  0.998951  0.621203  1
  Zr  Zr40  1  0.465342  0.526208  0.587051  1
  Zr  Zr41  1  0.622806  0.841278  0.599496  1
  Zr  Zr42  1  0.775308  0.146854  0.612925  1
  Zr  Zr43  1  0.351625  0.298009  0.635934  1
  Zr  Zr44  1  0.508922  0.612258  0.647226  1
  Zr  Zr45  1  0.667491  0.930291  0.659655  1
  Zr  Zr46  1  0.923042  0.442372  0.627239  1
  Zr  Zr47  1  0.096284  0.785784  0.664793  1
  Zr  Zr48  1  0.240530  0.075935  0.684098  1
  Zr  Zr49  1  0.819141  0.233653  0.674554  1
  Zr  Zr50  1  0.970249  0.534827  0.688194  1
  Zr  Zr51  1  0.120384  0.836215  0.724614  1
  Zr  Zr52  1  0.397361  0.386783  0.695130  1
  Zr  Zr53  1  0.555239  0.703792  0.706121  1
  Zr  Zr54  1  0.701816  1.001574  0.719382  1
