# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19950630
_cell_length_b   8.05555943
_cell_length_c   54.31271636
_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   1399.84580162
_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  0.556700  0.339084  0.265154  1
  Zr  Zr2  1  0.556700  0.974495  0.242382  1
  Zr  Zr3  1  1.056700  0.627016  0.236241  1
  Zr  Zr4  1  1.056700  0.270962  0.215758  1
  Zr  Zr5  1  0.556700  0.131772  0.342782  1
  Zr  Zr6  1  0.556700  0.710413  0.286219  1
  Zr  Zr7  1  1.056700  0.421724  0.314837  1
  Zr  Zr8  1  1.056700  0.051315  0.292769  1
  Zr  Zr9  1  0.556700  0.868933  0.386841  1
  Zr  Zr10  1  0.556700  0.500353  0.364891  1
  Zr  Zr11  1  1.056700  0.211036  0.392892  1
  Zr  Zr12  1  1.056700  0.789222  0.336671  1
  Zr  Zr13  1  0.556700  0.659067  0.465024  1
  Zr  Zr14  1  0.556700  0.290494  0.442998  1
  Zr  Zr15  1  1.056700  0.948340  0.436974  1
  Zr  Zr16  1  1.056700  0.579766  0.414947  1
  Zr  Zr17  1  0.556700  0.449612  0.543301  1
  Zr  Zr18  1  0.556700  0.027798  0.487079  1
  Zr  Zr19  1  1.056700  0.738481  0.515081  1
  Zr  Zr20  1  1.056700  0.369901  0.493130  1
  Zr  Zr21  1  0.556700  0.187519  0.587203  1
  Zr  Zr22  1  0.556700  0.817110  0.565135  1
  Zr  Zr23  1  1.056700  0.528420  0.593752  1
  Zr  Zr24  1  1.056700  0.107062  0.537190  1
  Zr  Zr25  1  0.556700  0.967871  0.664214  1
  Zr  Zr26  1  0.556700  0.611818  0.643730  1
  Zr  Zr27  1  1.056700  0.264338  0.637590  1
  Zr  Zr28  1  1.056700  0.899750  0.614817  1
