# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46618560
_cell_length_b   14.35394990
_cell_length_c   47.95029304
_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   3073.96882658
_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  0.008770  0.144294  0.319218  1
  Zr  Zr2  1  0.008770  0.850789  0.290256  1
  Zr  Zr3  1  0.008770  0.445100  0.351006  1
  Zr  Zr4  1  0.508770  0.295766  0.335721  1
  Zr  Zr5  1  0.508770  0.996298  0.303777  1
  Zr  Zr6  1  0.508770  0.705486  0.276669  1
  Zr  Zr7  1  0.508770  0.205486  0.276669  1
  Zr  Zr8  1  0.508770  0.795766  0.335721  1
  Zr  Zr9  1  0.508770  0.496298  0.303777  1
  Zr  Zr10  1  0.008770  0.350789  0.290256  1
  Zr  Zr11  1  0.008770  0.945100  0.351006  1
  Zr  Zr12  1  0.008770  0.644294  0.319218  1
  Zr  Zr13  1  0.008770  0.044126  0.411080  1
  Zr  Zr14  1  0.008770  0.744129  0.380743  1
  Zr  Zr15  1  0.008770  0.343305  0.441435  1
  Zr  Zr16  1  0.508770  0.193379  0.426100  1
  Zr  Zr17  1  0.508770  0.894403  0.396162  1
  Zr  Zr18  1  0.508770  0.594816  0.364936  1
  Zr  Zr19  1  0.508770  0.094816  0.364936  1
  Zr  Zr20  1  0.508770  0.693379  0.426100  1
  Zr  Zr21  1  0.508770  0.394403  0.396162  1
  Zr  Zr22  1  0.008770  0.244129  0.380743  1
  Zr  Zr23  1  0.008770  0.843305  0.441435  1
  Zr  Zr24  1  0.008770  0.544126  0.411080  1
  Zr  Zr25  1  0.008770  0.942157  0.502165  1
  Zr  Zr26  1  0.008770  0.642707  0.471710  1
  Zr  Zr27  1  0.008770  0.241438  0.532327  1
  Zr  Zr28  1  0.508770  0.091818  0.517324  1
  Zr  Zr29  1  0.508770  0.792368  0.486869  1
  Zr  Zr30  1  0.508770  0.493087  0.456707  1
  Zr  Zr31  1  0.508770  0.993087  0.456707  1
  Zr  Zr32  1  0.508770  0.591818  0.517324  1
  Zr  Zr33  1  0.508770  0.292368  0.486869  1
  Zr  Zr34  1  0.008770  0.142707  0.471710  1
  Zr  Zr35  1  0.008770  0.741438  0.532327  1
  Zr  Zr36  1  0.008770  0.442157  0.502165  1
  Zr  Zr37  1  0.008770  0.840122  0.592872  1
  Zr  Zr38  1  0.008770  0.541145  0.562934  1
  Zr  Zr39  1  0.008770  0.139709  0.624097  1
  Zr  Zr40  1  0.508770  0.990396  0.608290  1
  Zr  Zr41  1  0.508770  0.690399  0.577954  1
  Zr  Zr42  1  0.508770  0.391220  0.547599  1
  Zr  Zr43  1  0.508770  0.891220  0.547599  1
  Zr  Zr44  1  0.508770  0.490396  0.608290  1
  Zr  Zr45  1  0.508770  0.190399  0.577954  1
  Zr  Zr46  1  0.008770  0.041145  0.562934  1
  Zr  Zr47  1  0.008770  0.639709  0.624097  1
  Zr  Zr48  1  0.008770  0.340122  0.592872  1
  Zr  Zr49  1  0.008770  0.738227  0.685257  1
  Zr  Zr50  1  0.008770  0.438758  0.653313  1
  Zr  Zr51  1  0.008770  0.029039  0.712365  1
  Zr  Zr52  1  0.508770  0.883735  0.698778  1
  Zr  Zr53  1  0.508770  0.590230  0.669815  1
  Zr  Zr54  1  0.508770  0.289425  0.638028  1
  Zr  Zr55  1  0.508770  0.789425  0.638028  1
  Zr  Zr56  1  0.508770  0.383735  0.698778  1
  Zr  Zr57  1  0.508770  0.090230  0.669815  1
  Zr  Zr58  1  0.008770  0.938758  0.653313  1
  Zr  Zr59  1  0.008770  0.529039  0.712365  1
  Zr  Zr60  1  0.008770  0.238227  0.685257  1
