# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19237788
_cell_length_b   10.96980882
_cell_length_c   55.38148104
_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   Zr36
_cell_volume   1939.44700527
_cell_formula_units_Z   36
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  0.560073  0.058151  0.280800  1
  Zr  Zr2  1  0.560073  0.778603  0.265972  1
  Zr  Zr3  1  0.560073  0.499941  0.249022  1
  Zr  Zr4  1  1.060073  0.249364  0.249029  1
  Zr  Zr5  1  1.060073  0.975482  0.234469  1
  Zr  Zr6  1  1.060073  0.705024  0.220849  1
  Zr  Zr7  1  0.560073  0.948567  0.359252  1
  Zr  Zr8  1  0.560073  0.666565  0.344695  1
  Zr  Zr9  1  0.560073  0.336679  0.296262  1
  Zr  Zr10  1  1.060073  0.144630  0.328169  1
  Zr  Zr11  1  1.060073  0.862563  0.312936  1
  Zr  Zr12  1  1.060073  0.583213  0.296960  1
  Zr  Zr13  1  0.560073  0.823866  0.435448  1
  Zr  Zr14  1  0.560073  0.508481  0.394718  1
  Zr  Zr15  1  0.560073  0.230015  0.375755  1
  Zr  Zr16  1  1.060073  0.027824  0.405659  1
  Zr  Zr17  1  1.060073  0.750485  0.390279  1
  Zr  Zr18  1  1.060073  0.422018  0.345358  1
  Zr  Zr19  1  0.560073  0.708818  0.512220  1
  Zr  Zr20  1  0.560073  0.380351  0.467299  1
  Zr  Zr21  1  0.560073  0.103012  0.451919  1
  Zr  Zr22  1  1.060073  0.900821  0.481822  1
  Zr  Zr23  1  1.060073  0.622355  0.462860  1
  Zr  Zr24  1  1.060073  0.306970  0.422129  1
  Zr  Zr25  1  0.560073  0.547623  0.560617  1
  Zr  Zr26  1  0.560073  0.268273  0.544642  1
  Zr  Zr27  1  0.560073  0.986206  0.529409  1
  Zr  Zr28  1  1.060073  0.794157  0.561316  1
  Zr  Zr29  1  1.060073  0.464271  0.512882  1
  Zr  Zr30  1  1.060073  0.182269  0.498326  1
  Zr  Zr31  1  0.560073  0.425812  0.636728  1
  Zr  Zr32  1  0.560073  0.155354  0.623109  1
  Zr  Zr33  1  0.560073  0.881472  0.608548  1
  Zr  Zr34  1  1.060073  0.630895  0.608555  1
  Zr  Zr35  1  1.060073  0.352233  0.591605  1
  Zr  Zr36  1  1.060073  0.072685  0.576777  1
