# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46651404
_cell_length_b   14.35047110
_cell_length_c   47.95150244
_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   3073.52734619
_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  1.008733  0.152988  0.311007  1
  Zr  Zr2  1  1.008733  0.862718  0.282970  1
  Zr  Zr3  1  1.008733  0.452956  0.342883  1
  Zr  Zr4  1  0.508733  0.302163  0.326380  1
  Zr  Zr5  1  0.508733  0.005128  0.297492  1
  Zr  Zr6  1  0.508733  0.717401  0.269302  1
  Zr  Zr7  1  0.508733  0.103019  0.358343  1
  Zr  Zr8  1  0.508733  0.804892  0.328574  1
  Zr  Zr9  1  0.508733  0.509008  0.296493  1
  Zr  Zr10  1  1.008733  0.360759  0.283862  1
  Zr  Zr11  1  0.008733  0.955008  0.343756  1
  Zr  Zr12  1  0.008733  0.654748  0.311866  1
  Zr  Zr13  1  0.008733  0.053262  0.403921  1
  Zr  Zr14  1  0.008733  0.753253  0.373522  1
  Zr  Zr15  1  1.008733  0.351506  0.433351  1
  Zr  Zr16  1  0.508733  0.202486  0.418458  1
  Zr  Zr17  1  0.508733  0.903256  0.388894  1
  Zr  Zr18  1  0.508733  0.603952  0.357550  1
  Zr  Zr19  1  0.508733  0.002172  0.449334  1
  Zr  Zr20  1  0.508733  0.701995  0.418678  1
  Zr  Zr21  1  0.508733  0.402325  0.387970  1
  Zr  Zr22  1  1.008733  0.252708  0.372124  1
  Zr  Zr23  1  0.008733  0.852152  0.434156  1
  Zr  Zr24  1  0.008733  0.552252  0.403276  1
  Zr  Zr25  1  0.008733  0.951132  0.494797  1
  Zr  Zr26  1  0.008733  0.651151  0.464100  1
  Zr  Zr27  1  0.008733  0.249856  0.524721  1
  Zr  Zr28  1  0.508733  0.100615  0.509942  1
  Zr  Zr29  1  0.508733  0.801181  0.479484  1
  Zr  Zr30  1  0.508733  0.501184  0.448771  1
  Zr  Zr31  1  0.508733  0.900250  0.540238  1
  Zr  Zr32  1  0.508733  0.600253  0.509525  1
  Zr  Zr33  1  0.508733  0.300819  0.479067  1
  Zr  Zr34  1  0.008733  0.151578  0.464288  1
  Zr  Zr35  1  0.008733  0.750283  0.524909  1
  Zr  Zr36  1  0.008733  0.450302  0.494212  1
  Zr  Zr37  1  0.008733  0.849182  0.585733  1
  Zr  Zr38  1  0.008733  0.549282  0.554853  1
  Zr  Zr39  1  0.008733  0.148726  0.616885  1
  Zr  Zr40  1  0.508733  0.999109  0.601039  1
  Zr  Zr41  1  0.508733  0.699439  0.570331  1
  Zr  Zr42  1  0.508733  0.399262  0.539675  1
  Zr  Zr43  1  0.508733  0.797482  0.631459  1
  Zr  Zr44  1  0.508733  0.498178  0.600115  1
  Zr  Zr45  1  0.508733  0.198948  0.570551  1
  Zr  Zr46  1  0.008733  0.049928  0.555658  1
  Zr  Zr47  1  0.008733  0.648181  0.615486  1
  Zr  Zr48  1  0.008733  0.348172  0.585088  1
  Zr  Zr49  1  1.008733  0.746686  0.677143  1
  Zr  Zr50  1  0.008733  0.446426  0.645253  1
  Zr  Zr51  1  1.008733  0.040675  0.705147  1
  Zr  Zr52  1  0.508733  0.892426  0.692516  1
  Zr  Zr53  1  0.508733  0.596542  0.660435  1
  Zr  Zr54  1  0.508733  0.298415  0.630666  1
  Zr  Zr55  1  0.508733  0.684033  0.719707  1
  Zr  Zr56  1  0.508733  0.396306  0.691517  1
  Zr  Zr57  1  0.508733  0.099271  0.662629  1
  Zr  Zr58  1  1.008733  0.948478  0.646125  1
  Zr  Zr59  1  1.008733  0.538716  0.706039  1
  Zr  Zr60  1  1.008733  0.248446  0.678002  1
