# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.05581062
_cell_length_b   8.07700900
_cell_length_c   45.88825687
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr56
_cell_volume   2925.4790456
_cell_formula_units_Z   56
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  0.599951  0.597270  0.307982  1
  Zr  Zr2  1  0.099951  0.097270  0.307982  1
  Zr  Zr3  1  0.974951  0.472270  0.331053  1
  Zr  Zr4  1  0.474951  0.972270  0.331053  1
  Zr  Zr5  1  0.849951  0.847270  0.307982  1
  Zr  Zr6  1  0.349951  0.347270  0.307982  1
  Zr  Zr7  1  0.224951  0.722270  0.331053  1
  Zr  Zr8  1  0.724951  0.222270  0.331053  1
  Zr  Zr9  1  0.474951  0.472270  0.369741  1
  Zr  Zr10  1  0.974951  0.972270  0.369741  1
  Zr  Zr11  1  0.849951  0.347270  0.393557  1
  Zr  Zr12  1  0.349951  0.847270  0.393557  1
  Zr  Zr13  1  0.724951  0.722270  0.369741  1
  Zr  Zr14  1  0.224951  0.222270  0.369741  1
  Zr  Zr15  1  0.099951  0.597270  0.393557  1
  Zr  Zr16  1  0.599951  0.097270  0.393557  1
  Zr  Zr17  1  0.349951  0.347270  0.432691  1
  Zr  Zr18  1  0.849951  0.847270  0.432691  1
  Zr  Zr19  1  0.724951  0.222270  0.456131  1
  Zr  Zr20  1  0.224951  0.722270  0.456131  1
  Zr  Zr21  1  0.599951  0.597270  0.432691  1
  Zr  Zr22  1  0.099951  0.097270  0.432691  1
  Zr  Zr23  1  0.974951  0.472270  0.456131  1
  Zr  Zr24  1  0.474951  0.972270  0.456131  1
  Zr  Zr25  1  0.224951  0.222270  0.495398  1
  Zr  Zr26  1  0.724951  0.722270  0.495398  1
  Zr  Zr27  1  0.599951  0.097270  0.518762  1
  Zr  Zr28  1  0.099951  0.597270  0.518762  1
  Zr  Zr29  1  0.474951  0.472270  0.495398  1
  Zr  Zr30  1  0.974951  0.972270  0.495398  1
  Zr  Zr31  1  0.849951  0.347270  0.518762  1
  Zr  Zr32  1  0.349951  0.847270  0.518762  1
  Zr  Zr33  1  0.099951  0.097270  0.558030  1
  Zr  Zr34  1  0.599951  0.597270  0.558030  1
  Zr  Zr35  1  0.474951  0.972270  0.581469  1
  Zr  Zr36  1  0.974951  0.472270  0.581469  1
  Zr  Zr37  1  0.349951  0.347270  0.558030  1
  Zr  Zr38  1  0.849951  0.847270  0.558030  1
  Zr  Zr39  1  0.724951  0.222270  0.581469  1
  Zr  Zr40  1  0.224951  0.722270  0.581469  1
  Zr  Zr41  1  0.974951  0.972270  0.620604  1
  Zr  Zr42  1  0.474951  0.472270  0.620604  1
  Zr  Zr43  1  0.349951  0.847270  0.644419  1
  Zr  Zr44  1  0.849951  0.347270  0.644419  1
  Zr  Zr45  1  0.224951  0.222270  0.620604  1
  Zr  Zr46  1  0.724951  0.722270  0.620604  1
  Zr  Zr47  1  0.599951  0.097270  0.644419  1
  Zr  Zr48  1  0.099951  0.597270  0.644419  1
  Zr  Zr49  1  0.849951  0.847270  0.683108  1
  Zr  Zr50  1  0.349951  0.347270  0.683108  1
  Zr  Zr51  1  0.224951  0.722270  0.706179  1
  Zr  Zr52  1  0.724951  0.222270  0.706179  1
  Zr  Zr53  1  0.099951  0.097270  0.683108  1
  Zr  Zr54  1  0.599951  0.597270  0.683108  1
  Zr  Zr55  1  0.474951  0.972270  0.706179  1
  Zr  Zr56  1  0.974951  0.472270  0.706179  1
