# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23135036
_cell_length_b   6.09741000
_cell_length_c   48.95220750
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.23007729
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr18
_cell_volume   930.624452154
_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  0.982700  0.466909  0.283790  1
  Zr  Zr2  1  0.659920  0.821442  0.320888  1
  Zr  Zr3  1  0.390932  0.284102  0.332607  1
  Zr  Zr4  1  0.051719  0.604864  0.372422  1
  Zr  Zr5  1  0.779278  0.061321  0.381264  1
  Zr  Zr6  1  0.439246  0.380217  0.422571  1
  Zr  Zr7  1  0.169391  0.842179  0.431465  1
  Zr  Zr8  1  0.828375  0.159009  0.472949  1
  Zr  Zr9  1  0.558290  0.620613  0.481590  1
  Zr  Zr10  1  0.217156  0.937165  0.523188  1
  Zr  Zr11  1  0.947071  0.398769  0.531829  1
  Zr  Zr12  1  0.606055  0.715599  0.573314  1
  Zr  Zr13  1  0.336200  0.177560  0.582207  1
  Zr  Zr14  1  0.996168  0.496457  0.623514  1
  Zr  Zr15  1  0.723728  0.952914  0.632356  1
  Zr  Zr16  1  0.384514  0.273676  0.672171  1
  Zr  Zr17  1  0.115526  0.736336  0.683890  1
  Zr  Zr18  1  0.792747  0.090869  0.720988  1
