# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07493222
_cell_length_b   7.87364886
_cell_length_c   47.55390415
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr36
_cell_volume   1802.65958455
_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  0.989912  0.414133  0.282860  1
  Zr  Zr2  1  0.205514  0.849880  0.305157  1
  Zr  Zr3  1  0.604521  0.642428  0.292170  1
  Zr  Zr4  1  0.810435  0.067160  0.319073  1
  Zr  Zr5  1  0.423175  0.294073  0.326736  1
  Zr  Zr6  1  0.628298  0.728360  0.354719  1
  Zr  Zr7  1  0.023332  0.512117  0.343573  1
  Zr  Zr8  1  0.237164  0.956433  0.367249  1
  Zr  Zr9  1  0.837412  0.174628  0.380553  1
  Zr  Zr10  1  0.045493  0.617325  0.405824  1
  Zr  Zr11  1  0.442612  0.392172  0.391868  1
  Zr  Zr12  1  0.649205  0.836198  0.417276  1
  Zr  Zr13  1  0.251341  0.056480  0.430702  1
  Zr  Zr14  1  0.459201  0.498136  0.455105  1
  Zr  Zr15  1  0.855080  0.277467  0.442835  1
  Zr  Zr16  1  0.060528  0.718021  0.468313  1
  Zr  Zr17  1  0.664409  0.938717  0.480381  1
  Zr  Zr18  1  0.869742  0.379041  0.505506  1
  Zr  Zr19  1  0.267578  0.160416  0.493312  1
  Zr  Zr20  1  0.472912  0.600740  0.518437  1
  Zr  Zr21  1  0.076793  0.821436  0.530505  1
  Zr  Zr22  1  0.282241  0.261990  0.555984  1
  Zr  Zr23  1  0.678120  0.041321  0.543713  1
  Zr  Zr24  1  0.885980  0.482977  0.568116  1
  Zr  Zr25  1  0.488116  0.703259  0.581542  1
  Zr  Zr26  1  0.694709  0.147285  0.606951  1
  Zr  Zr27  1  0.091827  0.922132  0.592994  1
  Zr  Zr28  1  0.299908  0.364829  0.618265  1
  Zr  Zr29  1  0.900157  0.583025  0.631569  1
  Zr  Zr30  1  0.113988  0.027340  0.655245  1
  Zr  Zr31  1  0.509022  0.811097  0.644099  1
  Zr  Zr32  1  0.714145  0.245384  0.672082  1
  Zr  Zr33  1  0.326885  0.472297  0.679745  1
  Zr  Zr34  1  0.532799  0.897029  0.706649  1
  Zr  Zr35  1  0.931807  0.689577  0.693661  1
  Zr  Zr36  1  0.147408  0.125324  0.715959  1
