# generated using pymatgen
data_Zr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23039264
_cell_length_b   6.09880749
_cell_length_c   48.95505358
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.76991718
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr
_chemical_formula_sum   Zr18
_cell_volume   930.615938916
_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  0.513965  0.467156  0.283747  1
  Zr  Zr2  1  0.836858  0.821451  0.320870  1
  Zr  Zr3  1  0.105796  0.284178  0.332563  1
  Zr  Zr4  1  0.445103  0.604800  0.372402  1
  Zr  Zr5  1  0.717463  0.061337  0.381225  1
  Zr  Zr6  1  0.057580  0.380125  0.422550  1
  Zr  Zr7  1  0.327352  0.842150  0.431427  1
  Zr  Zr8  1  0.668453  0.158879  0.472928  1
  Zr  Zr9  1  0.938452  0.620545  0.481553  1
  Zr  Zr10  1  0.279672  0.936999  0.523167  1
  Zr  Zr11  1  0.549671  0.398665  0.531792  1
  Zr  Zr12  1  0.890771  0.715394  0.573293  1
  Zr  Zr13  1  0.160544  0.177419  0.582170  1
  Zr  Zr14  1  0.500661  0.496207  0.623495  1
  Zr  Zr15  1  0.773021  0.952744  0.632318  1
  Zr  Zr16  1  0.112327  0.273366  0.672157  1
  Zr  Zr17  1  0.381266  0.736093  0.683850  1
  Zr  Zr18  1  0.704158  0.090388  0.720973  1
