# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20383357
_cell_length_b   10.91244484
_cell_length_c   48.60680651
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.48211160
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr32
_cell_volume   1680.7866814
_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  1.002014  0.998957  0.315318  1
  Zr  Zr2  1  0.764002  0.523379  0.288745  1
  Zr  Zr3  1  0.371864  0.738993  0.320464  1
  Zr  Zr4  1  0.136331  0.268903  0.293526  1
  Zr  Zr5  1  0.466516  0.927984  0.370765  1
  Zr  Zr6  1  0.233363  0.461878  0.343136  1
  Zr  Zr7  1  0.838335  0.671951  0.376164  1
  Zr  Zr8  1  0.605744  0.207062  0.349135  1
  Zr  Zr9  1  0.933258  0.861374  0.426673  1
  Zr  Zr10  1  0.700140  0.395246  0.399190  1
  Zr  Zr11  1  0.305232  0.605635  0.431849  1
  Zr  Zr12  1  0.071479  0.138247  0.404174  1
  Zr  Zr13  1  0.399893  0.794521  0.482401  1
  Zr  Zr14  1  0.166484  0.327784  0.454726  1
  Zr  Zr15  1  0.771724  0.538489  0.487417  1
  Zr  Zr16  1  0.538274  0.071670  0.459704  1
  Zr  Zr17  1  0.866551  0.727699  0.538015  1
  Zr  Zr18  1  0.633101  0.260881  0.510302  1
  Zr  Zr19  1  0.238340  0.471586  0.542993  1
  Zr  Zr20  1  0.004932  0.004849  0.515317  1
  Zr  Zr21  1  0.333346  0.661122  0.593545  1
  Zr  Zr22  1  0.099593  0.193735  0.565869  1
  Zr  Zr23  1  0.704685  0.404124  0.598529  1
  Zr  Zr24  1  0.471567  0.937996  0.571045  1
  Zr  Zr25  1  0.799080  0.592308  0.648584  1
  Zr  Zr26  1  0.566489  0.127419  0.621554  1
  Zr  Zr27  1  0.171462  0.337491  0.654582  1
  Zr  Zr28  1  0.938309  0.871385  0.626953  1
  Zr  Zr29  1  0.268494  0.530467  0.704192  1
  Zr  Zr30  1  0.032961  0.060377  0.677254  1
  Zr  Zr31  1  0.640823  0.275990  0.708973  1
  Zr  Zr32  1  0.402810  0.800413  0.682400  1
