# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45594470
_cell_length_b   5.13762268
_cell_length_c   45.98194636
_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   Zr16
_cell_volume   816.425085935
_cell_formula_units_Z   16
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  0.015391  0.277611  0.295533  1
  Zr  Zr2  1  0.515391  0.777611  0.295533  1
  Zr  Zr3  1  0.015391  0.698215  0.351594  1
  Zr  Zr4  1  0.515391  0.198215  0.351594  1
  Zr  Zr5  1  0.015391  0.282385  0.408200  1
  Zr  Zr6  1  0.515391  0.782385  0.408200  1
  Zr  Zr7  1  0.015391  0.698143  0.464751  1
  Zr  Zr8  1  0.515391  0.198143  0.464751  1
  Zr  Zr9  1  0.015391  0.282446  0.521310  1
  Zr  Zr10  1  0.515391  0.782446  0.521310  1
  Zr  Zr11  1  0.015391  0.698203  0.577862  1
  Zr  Zr12  1  0.515391  0.198203  0.577862  1
  Zr  Zr13  1  0.015391  0.282373  0.634468  1
  Zr  Zr14  1  0.515391  0.782373  0.634468  1
  Zr  Zr15  1  0.015391  0.702978  0.690529  1
  Zr  Zr16  1  0.515391  0.202978  0.690529  1
