# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23117654
_cell_length_b   6.09864663
_cell_length_c   48.95418739
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.23008282
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr18
_cell_volume   930.800745693
_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  0.982744  0.467007  0.283788  1
  Zr  Zr2  1  0.659897  0.821396  0.320890  1
  Zr  Zr3  1  0.390920  0.284064  0.332597  1
  Zr  Zr4  1  0.051674  0.604783  0.372417  1
  Zr  Zr5  1  0.779264  0.061260  0.381253  1
  Zr  Zr6  1  0.439203  0.380129  0.422560  1
  Zr  Zr7  1  0.169378  0.842101  0.431450  1
  Zr  Zr8  1  0.828334  0.158907  0.472933  1
  Zr  Zr9  1  0.558281  0.620520  0.481570  1
  Zr  Zr10  1  0.217117  0.937050  0.523167  1
  Zr  Zr11  1  0.947064  0.398664  0.531804  1
  Zr  Zr12  1  0.606020  0.715470  0.573288  1
  Zr  Zr13  1  0.336195  0.177441  0.582177  1
  Zr  Zr14  1  0.996134  0.496310  0.623485  1
  Zr  Zr15  1  0.723724  0.952788  0.632321  1
  Zr  Zr16  1  0.384478  0.273506  0.672140  1
  Zr  Zr17  1  0.115501  0.736174  0.683847  1
  Zr  Zr18  1  0.792654  0.090564  0.720950  1
