# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.42010782
_cell_length_b   6.06467179
_cell_length_c   46.79825746
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.65630517
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr60
_cell_volume   3018.90828794
_cell_formula_units_Z   60
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  0.216540  0.715075  0.284155  1
  Zr  Zr2  1  0.494762  0.664857  0.297395  1
  Zr  Zr3  1  0.777309  0.608297  0.311164  1
  Zr  Zr4  1  0.157275  0.256133  0.275180  1
  Zr  Zr5  1  0.430723  0.203837  0.286901  1
  Zr  Zr6  1  0.707641  0.150128  0.301046  1
  Zr  Zr7  1  0.053800  0.552985  0.328270  1
  Zr  Zr8  1  0.335101  0.493920  0.343121  1
  Zr  Zr9  1  0.614708  0.442561  0.357450  1
  Zr  Zr10  1  0.985308  0.092280  0.315017  1
  Zr  Zr11  1  0.268397  0.037119  0.332185  1
  Zr  Zr12  1  0.548459  0.982958  0.346162  1
  Zr  Zr13  1  0.893513  0.386003  0.372632  1
  Zr  Zr14  1  0.173700  0.331595  0.388763  1
  Zr  Zr15  1  0.454524  0.275177  0.403619  1
  Zr  Zr16  1  0.825456  0.930072  0.361121  1
  Zr  Zr17  1  0.105353  0.875893  0.376241  1
  Zr  Zr18  1  0.386652  0.818292  0.391805  1
  Zr  Zr19  1  0.733723  0.221155  0.418662  1
  Zr  Zr20  1  0.013291  0.165903  0.434007  1
  Zr  Zr21  1  0.293790  0.110689  0.449432  1
  Zr  Zr22  1  0.666045  0.763430  0.406761  1
  Zr  Zr23  1  0.945066  0.709501  0.421827  1
  Zr  Zr24  1  0.225240  0.654992  0.437204  1
  Zr  Zr25  1  0.573744  0.055430  0.464547  1
  Zr  Zr26  1  0.853400  1.000672  0.479694  1
  Zr  Zr27  1  0.133371  0.945511  0.494997  1
  Zr  Zr28  1  0.505367  0.599055  0.452534  1
  Zr  Zr29  1  0.785060  0.544204  0.467662  1
  Zr  Zr30  1  0.064835  0.489487  0.482784  1
  Zr  Zr31  1  0.413491  0.890264  0.510344  1
  Zr  Zr32  1  0.693266  0.835547  0.525466  1
  Zr  Zr33  1  0.972960  0.780696  0.540594  1
  Zr  Zr34  1  0.344955  0.434240  0.498131  1
  Zr  Zr35  1  0.624927  0.379080  0.513434  1
  Zr  Zr36  1  0.904582  0.324321  0.528582  1
  Zr  Zr37  1  0.253086  0.724759  0.555924  1
  Zr  Zr38  1  0.533260  0.670250  0.571302  1
  Zr  Zr39  1  0.812281  0.616321  0.586367  1
  Zr  Zr40  1  0.184536  0.269062  0.543696  1
  Zr  Zr41  1  0.465035  0.213848  0.559121  1
  Zr  Zr42  1  0.744603  0.158596  0.574466  1
  Zr  Zr43  1  0.091674  0.561459  0.601323  1
  Zr  Zr44  1  0.372973  0.503858  0.616887  1
  Zr  Zr45  1  0.652870  0.449679  0.632007  1
  Zr  Zr46  1  0.023803  0.104574  0.589509  1
  Zr  Zr47  1  0.304626  0.048156  0.604365  1
  Zr  Zr48  1  0.584813  0.993748  0.620496  1
  Zr  Zr49  1  0.929867  0.396793  0.646967  1
  Zr  Zr50  1  0.209929  0.342632  0.660943  1
  Zr  Zr51  1  0.493019  0.287471  0.678111  1
  Zr  Zr52  1  0.863619  0.937190  0.635678  1
  Zr  Zr53  1  0.143225  0.885831  0.650007  1
  Zr  Zr54  1  0.424526  0.826766  0.664858  1
  Zr  Zr55  1  0.770686  0.229623  0.692082  1
  Zr  Zr56  1  0.047603  0.175914  0.706227  1
  Zr  Zr57  1  0.321052  0.123618  0.717948  1
  Zr  Zr58  1  0.701017  0.771454  0.681964  1
  Zr  Zr59  1  0.983564  0.714894  0.695733  1
  Zr  Zr60  1  0.261786  0.664676  0.708973  1
