# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23068805
_cell_length_b   6.09928110
_cell_length_c   48.96013257
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.23007741
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr18
_cell_volume   930.869906177
_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  0.982852  0.467131  0.283738  1
  Zr  Zr2  1  0.659951  0.821407  0.320851  1
  Zr  Zr3  1  0.391000  0.284109  0.332544  1
  Zr  Zr4  1  0.051708  0.604758  0.372371  1
  Zr  Zr5  1  0.779337  0.061276  0.381198  1
  Zr  Zr6  1  0.439233  0.380090  0.422510  1
  Zr  Zr7  1  0.169449  0.842094  0.431390  1
  Zr  Zr8  1  0.828363  0.158849  0.472879  1
  Zr  Zr9  1  0.558352  0.620494  0.481507  1
  Zr  Zr10  1  0.217147  0.936975  0.523108  1
  Zr  Zr11  1  0.947136  0.398620  0.531737  1
  Zr  Zr12  1  0.606050  0.715375  0.573225  1
  Zr  Zr13  1  0.336266  0.177379  0.582105  1
  Zr  Zr14  1  0.996162  0.496193  0.623418  1
  Zr  Zr15  1  0.723791  0.952711  0.632244  1
  Zr  Zr16  1  0.384499  0.273360  0.672072  1
  Zr  Zr17  1  0.115548  0.736062  0.683765  1
  Zr  Zr18  1  0.792647  0.090339  0.720877  1
