# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20277262
_cell_length_b   8.00941402
_cell_length_c   54.64983579
_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   Zr28
_cell_volume   1401.89572638
_cell_formula_units_Z   28
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  0.560843  0.346644  0.265973  1
  Zr  Zr2  1  0.560843  0.974689  0.243333  1
  Zr  Zr3  1  0.060843  0.635696  0.236999  1
  Zr  Zr4  1  0.060843  0.266683  0.216896  1
  Zr  Zr5  1  0.560843  0.137641  0.343908  1
  Zr  Zr6  1  0.560843  0.716444  0.287463  1
  Zr  Zr7  1  0.060843  0.427206  0.315807  1
  Zr  Zr8  1  0.060843  0.057329  0.293815  1
  Zr  Zr9  1  0.560843  0.875901  0.387732  1
  Zr  Zr10  1  0.560843  0.506823  0.365862  1
  Zr  Zr11  1  0.060843  0.217451  0.394017  1
  Zr  Zr12  1  0.060843  0.796074  0.337622  1
  Zr  Zr13  1  0.560843  0.666361  0.466016  1
  Zr  Zr14  1  0.560843  0.297262  0.444118  1
  Zr  Zr15  1  0.060843  0.955693  0.437834  1
  Zr  Zr16  1  0.060843  0.586595  0.415935  1
  Zr  Zr17  1  0.560843  0.456882  0.544330  1
  Zr  Zr18  1  0.560843  0.035504  0.487935  1
  Zr  Zr19  1  0.060843  0.746132  0.516090  1
  Zr  Zr20  1  0.060843  0.377054  0.494219  1
  Zr  Zr21  1  0.560843  0.195627  0.588137  1
  Zr  Zr22  1  0.560843  0.825750  0.566144  1
  Zr  Zr23  1  0.060843  0.536512  0.594488  1
  Zr  Zr24  1  0.060843  0.115315  0.538044  1
  Zr  Zr25  1  0.560843  0.986273  0.665055  1
  Zr  Zr26  1  0.560843  0.617259  0.644953  1
  Zr  Zr27  1  0.060843  0.278267  0.638619  1
  Zr  Zr28  1  0.060843  0.906311  0.615978  1
