# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43407140
_cell_length_b   6.39068810
_cell_length_c   48.54195755
_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   1375.52215713
_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  0.511005  0.626412  0.279906  1
  Zr  Zr2  1  1.011005  0.876412  0.311106  1
  Zr  Zr3  1  1.011005  0.376412  0.311106  1
  Zr  Zr4  1  0.511005  0.126412  0.279906  1
  Zr  Zr5  1  0.511005  0.126412  0.344555  1
  Zr  Zr6  1  0.011005  0.376412  0.377808  1
  Zr  Zr7  1  0.011005  0.876412  0.377808  1
  Zr  Zr8  1  0.511005  0.626412  0.344555  1
  Zr  Zr9  1  0.511005  0.626412  0.411353  1
  Zr  Zr10  1  1.011005  0.876412  0.444838  1
  Zr  Zr11  1  1.011005  0.376412  0.444838  1
  Zr  Zr12  1  0.511005  0.126412  0.411353  1
  Zr  Zr13  1  0.511005  0.126412  0.478345  1
  Zr  Zr14  1  1.011005  0.376412  0.511841  1
  Zr  Zr15  1  1.011005  0.876412  0.511841  1
  Zr  Zr16  1  0.511005  0.626412  0.478345  1
  Zr  Zr17  1  0.511005  0.626412  0.545347  1
  Zr  Zr18  1  1.011005  0.876412  0.578832  1
  Zr  Zr19  1  1.011005  0.376412  0.578832  1
  Zr  Zr20  1  0.511005  0.126412  0.545347  1
  Zr  Zr21  1  0.511005  0.126412  0.612378  1
  Zr  Zr22  1  1.011005  0.376412  0.645630  1
  Zr  Zr23  1  1.011005  0.876412  0.645630  1
  Zr  Zr24  1  0.511005  0.626412  0.612378  1
  Zr  Zr25  1  0.511005  0.626412  0.679079  1
  Zr  Zr26  1  1.011005  0.876412  0.710279  1
  Zr  Zr27  1  1.011005  0.376412  0.710279  1
  Zr  Zr28  1  0.511005  0.126412  0.679079  1
