# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19639463
_cell_length_b   10.54924820
_cell_length_c   50.82894502
_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   2715.79218528
_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  0.688077  0.977670  0.261259  1
  Zr  Zr2  1  0.836917  0.278633  0.294681  1
  Zr  Zr3  1  0.983778  0.573262  0.308302  1
  Zr  Zr4  1  0.104572  0.805196  0.266097  1
  Zr  Zr5  1  0.248587  0.103825  0.279246  1
  Zr  Zr6  1  0.406213  0.422265  0.288285  1
  Zr  Zr7  1  0.136299  0.877528  0.323929  1
  Zr  Zr8  1  0.296906  0.201525  0.335255  1
  Zr  Zr9  1  0.454861  0.517223  0.345764  1
  Zr  Zr10  1  0.565632  0.732993  0.298290  1
  Zr  Zr11  1  0.708445  1.025808  0.318615  1
  Zr  Zr12  1  0.885505  0.375276  0.355286  1
  Zr  Zr13  1  0.602676  0.814295  0.360536  1
  Zr  Zr14  1  0.749975  0.115624  0.375638  1
  Zr  Zr15  1  0.930192  0.466415  0.415329  1
  Zr  Zr16  1  0.030481  0.668325  0.369296  1
  Zr  Zr17  1  0.181629  0.973886  0.382939  1
  Zr  Zr18  1  0.340314  0.291399  0.394635  1
  Zr  Zr19  1  0.075474  0.761431  0.429237  1
  Zr  Zr20  1  0.226100  0.065259  0.442379  1
  Zr  Zr21  1  0.384103  0.381031  0.454370  1
  Zr  Zr22  1  0.497267  0.604606  0.406617  1
  Zr  Zr23  1  0.647826  0.907969  0.419921  1
  Zr  Zr24  1  0.793767  0.205182  0.434110  1
  Zr  Zr25  1  0.542052  0.696249  0.466370  1
  Zr  Zr26  1  0.692611  0.999595  0.479478  1
  Zr  Zr27  1  0.838116  0.295267  0.493347  1
  Zr  Zr28  1  0.974753  0.557366  0.475046  1
  Zr  Zr29  1  0.120258  0.853039  0.488916  1
  Zr  Zr30  1  0.270817  0.156385  0.502024  1
  Zr  Zr31  1  0.019102  0.647451  0.534284  1
  Zr  Zr32  1  0.165044  0.944665  0.548473  1
  Zr  Zr33  1  0.315603  0.248028  0.561777  1
  Zr  Zr34  1  0.428767  0.471603  0.514024  1
  Zr  Zr35  1  0.586770  0.787375  0.526015  1
  Zr  Zr36  1  0.737396  0.091202  0.539157  1
  Zr  Zr37  1  0.472556  0.561234  0.573759  1
  Zr  Zr38  1  0.631241  0.878748  0.585455  1
  Zr  Zr39  1  0.782389  0.184309  0.599098  1
  Zr  Zr40  1  0.882678  0.386218  0.553064  1
  Zr  Zr41  1  0.062894  0.737010  0.592755  1
  Zr  Zr42  1  0.210193  0.038339  0.607858  1
  Zr  Zr43  1  0.927364  0.477358  0.613108  1
  Zr  Zr44  1  0.104425  0.826825  0.649778  1
  Zr  Zr45  1  0.247238  0.119641  0.670104  1
  Zr  Zr46  1  0.358009  0.335411  0.622630  1
  Zr  Zr47  1  0.515963  0.651108  0.633139  1
  Zr  Zr48  1  0.676570  0.975106  0.644465  1
  Zr  Zr49  1  0.406657  0.430369  0.680108  1
  Zr  Zr50  1  0.564282  0.748808  0.689148  1
  Zr  Zr51  1  0.708298  0.047437  0.702297  1
  Zr  Zr52  1  0.829091  0.279372  0.660091  1
  Zr  Zr53  1  0.975952  0.574000  0.673713  1
  Zr  Zr54  1  0.124792  0.874964  0.707135  1
