# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21866965
_cell_length_b   13.46570075
_cell_length_c   51.70516560
_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   Zr42
_cell_volume   2240.98679755
_cell_formula_units_Z   42
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  0.558073  0.264583  0.307897  1
  Zr  Zr2  1  0.558073  0.005553  0.252733  1
  Zr  Zr3  1  0.558073  0.633544  0.279584  1
  Zr  Zr4  1  0.058073  0.429904  0.275894  1
  Zr  Zr5  1  0.058073  0.209412  0.255970  1
  Zr  Zr6  1  0.058073  0.837711  0.283001  1
  Zr  Zr7  1  0.558073  0.117828  0.356409  1
  Zr  Zr8  1  0.558073  0.895487  0.335619  1
  Zr  Zr9  1  0.558073  0.486385  0.328469  1
  Zr  Zr10  1  0.058073  0.321447  0.359995  1
  Zr  Zr11  1  0.058073  0.060316  0.304468  1
  Zr  Zr12  1  0.058073  0.691132  0.331924  1
  Zr  Zr13  1  0.558073  0.009776  0.439992  1
  Zr  Zr14  1  0.558073  0.747971  0.384175  1
  Zr  Zr15  1  0.558073  0.378359  0.412164  1
  Zr  Zr16  1  0.058073  0.174795  0.408512  1
  Zr  Zr17  1  0.058073  0.952727  0.387806  1
  Zr  Zr18  1  0.058073  0.543325  0.380615  1
  Zr  Zr19  1  0.558073  0.862041  0.488592  1
  Zr  Zr20  1  0.558073  0.600275  0.432802  1
  Zr  Zr21  1  0.558073  0.231743  0.460658  1
  Zr  Zr22  1  0.058073  0.066776  0.492179  1
  Zr  Zr23  1  0.058073  0.805010  0.436389  1
  Zr  Zr24  1  0.058073  0.435308  0.464324  1
  Zr  Zr25  1  0.558073  0.714324  0.537176  1
  Zr  Zr26  1  0.558073  0.492256  0.516470  1
  Zr  Zr27  1  0.558073  0.123726  0.544366  1
  Zr  Zr28  1  0.058073  0.919080  0.540807  1
  Zr  Zr29  1  0.058073  0.657275  0.484990  1
  Zr  Zr30  1  0.058073  0.288692  0.512818  1
  Zr  Zr31  1  0.558073  0.606735  0.620514  1
  Zr  Zr32  1  0.558073  0.345604  0.564987  1
  Zr  Zr33  1  0.558073  0.975919  0.593057  1
  Zr  Zr34  1  0.058073  0.771564  0.589363  1
  Zr  Zr35  1  0.058073  0.549223  0.568573  1
  Zr  Zr36  1  0.058073  0.180666  0.596512  1
  Zr  Zr37  1  0.558073  0.457639  0.669012  1
  Zr  Zr38  1  0.558073  0.237147  0.649088  1
  Zr  Zr39  1  0.558073  0.829340  0.641981  1
  Zr  Zr40  1  0.058073  0.661498  0.672249  1
  Zr  Zr41  1  0.058073  0.402468  0.617085  1
  Zr  Zr42  1  0.058073  0.033507  0.645398  1
