# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41387201
_cell_length_b   6.41387201
_cell_length_c   47.53125638
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr32
_cell_volume   1693.36470985
_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  0.836949  0.669077  0.303660  1
  Zr  Zr2  1  0.836949  0.169077  0.303660  1
  Zr  Zr3  1  0.336949  0.169077  0.303660  1
  Zr  Zr4  1  0.336949  0.669077  0.303660  1
  Zr  Zr5  1  0.170283  0.335744  0.359395  1
  Zr  Zr6  1  0.170283  0.835744  0.359395  1
  Zr  Zr7  1  0.670283  0.835744  0.359395  1
  Zr  Zr8  1  0.670283  0.335744  0.359395  1
  Zr  Zr9  1  0.503616  1.002411  0.414904  1
  Zr  Zr10  1  0.503616  0.502411  0.414904  1
  Zr  Zr11  1  1.003616  0.502411  0.414904  1
  Zr  Zr12  1  1.003616  1.002411  0.414904  1
  Zr  Zr13  1  0.836949  0.669077  0.470430  1
  Zr  Zr14  1  0.836949  0.169077  0.470430  1
  Zr  Zr15  1  0.336949  0.169077  0.470430  1
  Zr  Zr16  1  0.336949  0.669077  0.470430  1
  Zr  Zr17  1  0.170283  0.335744  0.525954  1
  Zr  Zr18  1  0.170283  0.835744  0.525954  1
  Zr  Zr19  1  0.670283  0.835744  0.525954  1
  Zr  Zr20  1  0.670283  0.335744  0.525954  1
  Zr  Zr21  1  0.503616  1.002411  0.581480  1
  Zr  Zr22  1  0.503616  0.502411  0.581480  1
  Zr  Zr23  1  1.003616  0.502411  0.581480  1
  Zr  Zr24  1  1.003616  1.002411  0.581480  1
  Zr  Zr25  1  0.836949  0.669077  0.636989  1
  Zr  Zr26  1  0.836949  0.169077  0.636989  1
  Zr  Zr27  1  0.336949  0.169077  0.636989  1
  Zr  Zr28  1  0.336949  0.669077  0.636989  1
  Zr  Zr29  1  0.170283  0.335744  0.692724  1
  Zr  Zr30  1  0.170283  0.835744  0.692724  1
  Zr  Zr31  1  0.670283  0.835744  0.692724  1
  Zr  Zr32  1  0.670283  0.335744  0.692724  1
