# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18757356
_cell_length_b   15.97640886
_cell_length_c   49.66988247
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.21471877
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr48
_cell_volume   2516.60376333
_cell_formula_units_Z   48
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  0.963932  0.082381  0.306561  1
  Zr  Zr2  1  0.804086  0.402275  0.323979  1
  Zr  Zr3  1  0.128999  0.752987  0.289535  1
  Zr  Zr4  1  0.551891  0.906961  0.316885  1
  Zr  Zr5  1  0.875891  0.259479  0.281959  1
  Zr  Zr6  1  0.715145  0.581762  0.299044  1
  Zr  Zr7  1  0.481456  0.047440  0.362294  1
  Zr  Zr8  1  0.319424  0.371528  0.381085  1
  Zr  Zr9  1  0.642954  0.724767  0.343818  1
  Zr  Zr10  1  0.067735  0.875277  0.372584  1
  Zr  Zr11  1  0.390391  0.230019  0.336678  1
  Zr  Zr12  1  0.229156  0.552871  0.354512  1
  Zr  Zr13  1  0.996795  0.016685  0.418202  1
  Zr  Zr14  1  0.835175  0.339905  0.436869  1
  Zr  Zr15  1  0.158254  0.693914  0.399783  1
  Zr  Zr16  1  0.582994  0.844631  0.428246  1
  Zr  Zr17  1  0.906173  0.198309  0.391550  1
  Zr  Zr18  1  0.744505  0.521765  0.409950  1
  Zr  Zr19  1  0.512172  0.985800  0.473911  1
  Zr  Zr20  1  0.350609  0.308904  0.492499  1
  Zr  Zr21  1  0.673652  0.662928  0.455481  1
  Zr  Zr22  1  0.098401  0.813663  0.483877  1
  Zr  Zr23  1  0.421530  0.167482  0.446945  1
  Zr  Zr24  1  0.259946  0.490660  0.465458  1
  Zr  Zr25  1  0.027567  0.954849  0.529521  1
  Zr  Zr26  1  0.865984  0.278027  0.548034  1
  Zr  Zr27  1  0.189112  0.631846  0.511103  1
  Zr  Zr28  1  0.613861  0.782581  0.539499  1
  Zr  Zr29  1  0.936904  0.136605  0.502480  1
  Zr  Zr30  1  0.775341  0.459709  0.521068  1
  Zr  Zr31  1  0.543008  0.923744  0.585029  1
  Zr  Zr32  1  0.381340  0.247200  0.603429  1
  Zr  Zr33  1  0.704519  0.600878  0.566733  1
  Zr  Zr34  1  0.129259  0.751596  0.595197  1
  Zr  Zr35  1  0.452338  0.105605  0.558110  1
  Zr  Zr36  1  0.290718  0.428824  0.576777  1
  Zr  Zr37  1  0.058357  0.892638  0.640467  1
  Zr  Zr38  1  0.897122  0.215490  0.658301  1
  Zr  Zr39  1  0.219778  0.570232  0.622395  1
  Zr  Zr40  1  0.644559  0.720742  0.651161  1
  Zr  Zr41  1  0.968089  0.073982  0.613894  1
  Zr  Zr42  1  0.806057  0.398069  0.632685  1
  Zr  Zr43  1  0.572368  0.863747  0.695935  1
  Zr  Zr44  1  0.411622  0.186030  0.713020  1
  Zr  Zr45  1  0.735622  0.538548  0.678094  1
  Zr  Zr46  1  0.158514  0.692522  0.705444  1
  Zr  Zr47  1  0.483427  0.043234  0.671001  1
  Zr  Zr48  1  0.323581  0.363128  0.688418  1
