# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19415845
_cell_length_b   6.04878302
_cell_length_c   48.91001063
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.78412907
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr18
_cell_volume   911.851784966
_cell_formula_units_Z   18
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  0.523445  0.456368  0.284732  1
  Zr  Zr2  1  0.839946  0.823339  0.317880  1
  Zr  Zr3  1  0.116068  0.271350  0.331991  1
  Zr  Zr4  1  0.447451  0.608235  0.369631  1
  Zr  Zr5  1  0.721479  0.060902  0.380345  1
  Zr  Zr6  1  0.058516  0.386236  0.420688  1
  Zr  Zr7  1  0.329336  0.845643  0.430049  1
  Zr  Zr8  1  0.669163  0.165288  0.471446  1
  Zr  Zr9  1  0.939010  0.626793  0.480220  1
  Zr  Zr10  1  0.279588  0.944886  0.521937  1
  Zr  Zr11  1  0.549434  0.406391  0.530711  1
  Zr  Zr12  1  0.889261  0.726036  0.572108  1
  Zr  Zr13  1  0.160082  0.185443  0.581469  1
  Zr  Zr14  1  0.497119  0.510777  0.621812  1
  Zr  Zr15  1  0.771146  0.963444  0.632525  1
  Zr  Zr16  1  0.102530  0.300328  0.670165  1
  Zr  Zr17  1  0.378651  0.748339  0.684276  1
  Zr  Zr18  1  0.695153  0.115311  0.717425  1
