# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16305546
_cell_length_b   10.78526076
_cell_length_c   49.00933912
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.58736283
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr32
_cell_volume   1653.17975315
_cell_formula_units_Z   32
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  0.887421  0.754455  0.299184  1
  Zr  Zr2  1  0.122517  0.223654  0.325115  1
  Zr  Zr3  1  0.023596  0.027279  0.280131  1
  Zr  Zr4  1  0.258612  0.498594  0.304939  1
  Zr  Zr5  1  0.353596  0.685943  0.353832  1
  Zr  Zr6  1  0.587432  0.153045  0.381555  1
  Zr  Zr7  1  0.492061  0.963926  0.332627  1
  Zr  Zr8  1  0.724744  0.429163  0.359443  1
  Zr  Zr9  1  0.819709  0.617470  0.409883  1
  Zr  Zr10  1  0.053022  0.083719  0.437684  1
  Zr  Zr11  1  0.957895  0.895022  0.387843  1
  Zr  Zr12  1  0.191062  0.360977  0.415308  1
  Zr  Zr13  1  0.285746  0.548924  0.465790  1
  Zr  Zr14  1  0.518876  0.014846  0.493604  1
  Zr  Zr15  1  0.423942  0.826442  0.443435  1
  Zr  Zr16  1  0.657089  0.292380  0.471179  1
  Zr  Zr17  1  0.751734  0.480299  0.521670  1
  Zr  Zr18  1  0.984882  0.946237  0.549415  1
  Zr  Zr19  1  0.889948  0.757833  0.499246  1
  Zr  Zr20  1  0.123078  0.223756  0.527060  1
  Zr  Zr21  1  0.217762  0.411703  0.577542  1
  Zr  Zr22  1  0.450928  0.877658  0.605007  1
  Zr  Zr23  1  0.355801  0.688961  0.555166  1
  Zr  Zr24  1  0.589115  0.155210  0.582967  1
  Zr  Zr25  1  0.684079  0.343517  0.633407  1
  Zr  Zr26  1  0.916763  0.808754  0.660223  1
  Zr  Zr27  1  0.821392  0.619635  0.611295  1
  Zr  Zr28  1  0.055228  0.086737  0.639018  1
  Zr  Zr29  1  0.150212  0.274086  0.687911  1
  Zr  Zr30  1  0.385228  0.745401  0.712719  1
  Zr  Zr31  1  0.286306  0.549025  0.667734  1
  Zr  Zr32  1  0.521403  0.018225  0.693666  1
