# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43093363
_cell_length_b   14.23130482
_cell_length_c   47.97405146
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr60
_cell_volume   3025.14616178
_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  0.511366  0.203507  0.276814  1
  Zr  Zr2  1  0.511366  0.800959  0.333964  1
  Zr  Zr3  1  0.511366  0.499472  0.301657  1
  Zr  Zr4  1  1.011366  0.351049  0.288747  1
  Zr  Zr5  1  1.011366  0.949515  0.348191  1
  Zr  Zr6  1  1.011366  0.648398  0.318110  1
  Zr  Zr7  1  1.011366  0.148398  0.318110  1
  Zr  Zr8  1  1.011366  0.851049  0.288747  1
  Zr  Zr9  1  1.011366  0.449515  0.348191  1
  Zr  Zr10  1  0.511366  0.300959  0.333964  1
  Zr  Zr11  1  0.511366  0.999472  0.301657  1
  Zr  Zr12  1  0.511366  0.703507  0.276814  1
  Zr  Zr13  1  0.511366  0.098470  0.362924  1
  Zr  Zr14  1  0.511366  0.697077  0.424174  1
  Zr  Zr15  1  0.511366  0.398554  0.394031  1
  Zr  Zr16  1  1.011366  0.248336  0.378619  1
  Zr  Zr17  1  1.011366  0.846775  0.439568  1
  Zr  Zr18  1  1.011366  0.547819  0.408953  1
  Zr  Zr19  1  1.011366  0.047819  0.408953  1
  Zr  Zr20  1  1.011366  0.748336  0.378619  1
  Zr  Zr21  1  1.011366  0.346775  0.439568  1
  Zr  Zr22  1  0.511366  0.197077  0.424174  1
  Zr  Zr23  1  0.511366  0.898554  0.394031  1
  Zr  Zr24  1  0.511366  0.598470  0.362924  1
  Zr  Zr25  1  0.511366  0.996432  0.454823  1
  Zr  Zr26  1  0.511366  0.594470  0.515776  1
  Zr  Zr27  1  0.511366  0.295329  0.485215  1
  Zr  Zr28  1  1.011366  0.145824  0.469970  1
  Zr  Zr29  1  1.011366  0.743862  0.530923  1
  Zr  Zr30  1  1.011366  0.444966  0.500531  1
  Zr  Zr31  1  1.011366  0.944966  0.500531  1
  Zr  Zr32  1  1.011366  0.645824  0.469970  1
  Zr  Zr33  1  1.011366  0.243862  0.530923  1
  Zr  Zr34  1  0.511366  0.094470  0.515776  1
  Zr  Zr35  1  0.511366  0.795329  0.485215  1
  Zr  Zr36  1  0.511366  0.496432  0.454823  1
  Zr  Zr37  1  0.511366  0.893519  0.546178  1
  Zr  Zr38  1  0.511366  0.491959  0.607127  1
  Zr  Zr39  1  0.511366  0.192475  0.576793  1
  Zr  Zr40  1  1.011366  0.043218  0.561572  1
  Zr  Zr41  1  1.011366  0.641824  0.622822  1
  Zr  Zr42  1  1.011366  0.341741  0.591715  1
  Zr  Zr43  1  1.011366  0.841741  0.591715  1
  Zr  Zr44  1  1.011366  0.543218  0.561572  1
  Zr  Zr45  1  1.011366  0.141824  0.622822  1
  Zr  Zr46  1  0.511366  0.991959  0.607127  1
  Zr  Zr47  1  0.511366  0.692475  0.576793  1
  Zr  Zr48  1  0.511366  0.393519  0.546178  1
  Zr  Zr49  1  0.511366  0.790779  0.637555  1
  Zr  Zr50  1  0.511366  0.389246  0.696999  1
  Zr  Zr51  1  0.511366  0.091897  0.667636  1
  Zr  Zr52  1  1.011366  0.939336  0.651782  1
  Zr  Zr53  1  1.011366  0.536788  0.708932  1
  Zr  Zr54  1  1.011366  0.240823  0.684089  1
  Zr  Zr55  1  1.011366  0.740823  0.684089  1
  Zr  Zr56  1  1.011366  0.439336  0.651782  1
  Zr  Zr57  1  1.011366  0.036788  0.708932  1
  Zr  Zr58  1  0.511366  0.889246  0.696999  1
  Zr  Zr59  1  0.511366  0.591897  0.667636  1
  Zr  Zr60  1  0.511366  0.290779  0.637555  1
