# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20973635
_cell_length_b   9.95927552
_cell_length_c   48.72303564
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.72438868
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr30
_cell_volume   1537.14678134
_cell_formula_units_Z   30
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  0.777233  0.448816  0.290961  1
  Zr  Zr2  1  0.394822  0.213652  0.320976  1
  Zr  Zr3  1  0.016576  0.970148  0.349720  1
  Zr  Zr4  1  0.245807  0.511722  0.345759  1
  Zr  Zr5  1  0.000972  1.001394  0.285929  1
  Zr  Zr6  1  0.626943  0.749479  0.313393  1
  Zr  Zr7  1  0.635615  0.732057  0.380421  1
  Zr  Zr8  1  0.255803  0.491677  0.411140  1
  Zr  Zr9  1  0.876191  0.250896  0.441522  1
  Zr  Zr10  1  0.106322  0.790680  0.436222  1
  Zr  Zr11  1  0.866236  0.270859  0.376029  1
  Zr  Zr12  1  0.486359  0.030613  0.405893  1
  Zr  Zr13  1  0.496286  0.010701  0.471715  1
  Zr  Zr14  1  0.116246  0.770775  0.502018  1
  Zr  Zr15  1  0.736362  0.530538  0.532420  1
  Zr  Zr16  1  0.966452  0.070404  0.527477  1
  Zr  Zr17  1  0.726376  0.550567  0.466773  1
  Zr  Zr18  1  0.346491  0.310330  0.497174  1
  Zr  Zr19  1  0.356415  0.290425  0.562971  1
  Zr  Zr20  1  0.976378  0.050493  0.593299  1
  Zr  Zr21  1  0.596501  0.810246  0.623164  1
  Zr  Zr22  1  0.827122  0.349048  0.618771  1
  Zr  Zr23  1  0.586546  0.830210  0.557671  1
  Zr  Zr24  1  0.206935  0.589428  0.588053  1
  Zr  Zr25  1  0.216930  0.569384  0.653433  1
  Zr  Zr26  1  0.835794  0.331627  0.685800  1
  Zr  Zr27  1  0.461766  0.079712  0.713263  1
  Zr  Zr28  1  0.685505  0.632289  0.708232  1
  Zr  Zr29  1  0.446161  0.110958  0.649473  1
  Zr  Zr30  1  0.067915  0.867454  0.678217  1
