# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17135256
_cell_length_b   10.83178883
_cell_length_c   48.56823346
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.47230153
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr32
_cell_volume   1650.1810678
_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  1.005277  0.998978  0.313243  1
  Zr  Zr2  1  0.768752  0.526862  0.288617  1
  Zr  Zr3  1  0.376628  0.742201  0.318571  1
  Zr  Zr4  1  0.141674  0.274118  0.292690  1
  Zr  Zr5  1  0.471601  0.931696  0.368795  1
  Zr  Zr6  1  0.237423  0.463887  0.342479  1
  Zr  Zr7  1  0.843440  0.675885  0.374251  1
  Zr  Zr8  1  0.609158  0.208051  0.347111  1
  Zr  Zr9  1  0.938381  0.865095  0.424773  1
  Zr  Zr10  1  0.704596  0.397872  0.397595  1
  Zr  Zr11  1  0.310076  0.609004  0.430196  1
  Zr  Zr12  1  0.076054  0.141311  0.402494  1
  Zr  Zr13  1  0.405198  0.798499  0.480706  1
  Zr  Zr14  1  0.171492  0.331348  0.453122  1
  Zr  Zr15  1  0.776794  0.542207  0.486015  1
  Zr  Zr16  1  0.543081  0.075037  0.458292  1
  Zr  Zr17  1  0.872071  0.731977  0.536560  1
  Zr  Zr18  1  0.638358  0.264807  0.508837  1
  Zr  Zr19  1  0.243660  0.475665  0.541730  1
  Zr  Zr20  1  0.009954  0.008514  0.514146  1
  Zr  Zr21  1  0.339098  0.665702  0.592358  1
  Zr  Zr22  1  0.105076  0.198009  0.564656  1
  Zr  Zr23  1  0.710556  0.409142  0.597258  1
  Zr  Zr24  1  0.476771  0.941918  0.570079  1
  Zr  Zr25  1  0.805994  0.598962  0.647741  1
  Zr  Zr26  1  0.571712  0.131129  0.620601  1
  Zr  Zr27  1  0.177729  0.343126  0.652373  1
  Zr  Zr28  1  0.943551  0.875318  0.626057  1
  Zr  Zr29  1  0.273478  0.532896  0.702162  1
  Zr  Zr30  1  0.038524  0.064812  0.676282  1
  Zr  Zr31  1  0.646400  0.280151  0.706235  1
  Zr  Zr32  1  0.409875  0.808035  0.681609  1
