# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36288759
_cell_length_b   6.36288759
_cell_length_c   47.14502235
_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   1653.00808858
_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  0.338738  0.670270  0.305220  1
  Zr  Zr2  1  0.338738  0.170270  0.305220  1
  Zr  Zr3  1  0.838738  0.170270  0.305220  1
  Zr  Zr4  1  0.838738  0.670270  0.305220  1
  Zr  Zr5  1  0.672071  0.336936  0.360194  1
  Zr  Zr6  1  0.672071  0.836936  0.360194  1
  Zr  Zr7  1  0.172071  0.836936  0.360194  1
  Zr  Zr8  1  0.172071  0.336936  0.360194  1
  Zr  Zr9  1  1.005404  1.003603  0.415806  1
  Zr  Zr10  1  1.005404  0.503603  0.415806  1
  Zr  Zr11  1  0.505404  0.503603  0.415806  1
  Zr  Zr12  1  0.505404  1.003603  0.415806  1
  Zr  Zr13  1  0.338738  0.670270  0.471561  1
  Zr  Zr14  1  0.338738  0.170270  0.471561  1
  Zr  Zr15  1  0.838738  0.170270  0.471561  1
  Zr  Zr16  1  0.838738  0.670270  0.471561  1
  Zr  Zr17  1  0.672071  0.336936  0.527366  1
  Zr  Zr18  1  0.672071  0.836936  0.527366  1
  Zr  Zr19  1  0.172071  0.836936  0.527366  1
  Zr  Zr20  1  0.172071  0.336936  0.527366  1
  Zr  Zr21  1  1.005404  1.003603  0.583120  1
  Zr  Zr22  1  1.005404  0.503603  0.583120  1
  Zr  Zr23  1  0.505404  0.503603  0.583120  1
  Zr  Zr24  1  0.505404  1.003603  0.583120  1
  Zr  Zr25  1  0.338738  0.670270  0.638732  1
  Zr  Zr26  1  0.338738  0.170270  0.638732  1
  Zr  Zr27  1  0.838738  0.170270  0.638732  1
  Zr  Zr28  1  0.838738  0.670270  0.638732  1
  Zr  Zr29  1  0.672071  0.336936  0.693706  1
  Zr  Zr30  1  0.672071  0.836936  0.693706  1
  Zr  Zr31  1  0.172071  0.836936  0.693706  1
  Zr  Zr32  1  0.172071  0.336936  0.693706  1
