# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92554540
_cell_length_b   12.15956136
_cell_length_c   47.52991284
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.94744664
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti44
_cell_volume   1678.38350805
_cell_formula_units_Z   44
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
  Ti  Ti1  1  0.122583  0.736836  0.280882  1
  Ti  Ti2  1  0.837340  0.166131  0.299600  1
  Ti  Ti3  1  0.237518  0.967315  0.283721  1
  Ti  Ti4  1  0.954378  0.401150  0.303884  1
  Ti  Ti5  1  0.553362  0.598407  0.319671  1
  Ti  Ti6  1  0.270561  0.032619  0.340263  1
  Ti  Ti7  1  0.672387  0.836906  0.324525  1
  Ti  Ti8  1  0.388508  0.269080  0.344554  1
  Ti  Ti9  1  0.986369  0.464244  0.361027  1
  Ti  Ti10  1  0.703253  0.897788  0.382701  1
  Ti  Ti11  1  0.104726  0.701452  0.365242  1
  Ti  Ti12  1  0.821575  0.135054  0.386251  1
  Ti  Ti13  1  0.419667  0.330619  0.403291  1
  Ti  Ti14  1  0.135956  0.763149  0.424286  1
  Ti  Ti15  1  0.537986  0.567840  0.407012  1
  Ti  Ti16  1  0.254891  1.001509  0.428238  1
  Ti  Ti17  1  0.852742  0.196643  0.445206  1
  Ti  Ti18  1  0.569085  0.629302  0.466078  1
  Ti  Ti19  1  0.971307  0.434324  0.448978  1
  Ti  Ti20  1  0.687850  0.867326  0.469925  1
  Ti  Ti21  1  0.285808  0.062662  0.487125  1
  Ti  Ti22  1  1.002254  0.495514  0.507978  1
  Ti  Ti23  1  0.404435  0.300444  0.490854  1
  Ti  Ti24  1  0.120881  0.733295  0.511706  1
  Ti  Ti25  1  0.718839  0.928631  0.528906  1
  Ti  Ti26  1  0.435381  0.361634  0.549854  1
  Ti  Ti27  1  0.837603  0.166656  0.532754  1
  Ti  Ti28  1  0.553947  0.599314  0.553626  1
  Ti  Ti29  1  0.151797  0.794449  0.570594  1
  Ti  Ti30  1  0.868703  0.228118  0.591820  1
  Ti  Ti31  1  0.270732  0.032809  0.574546  1
  Ti  Ti32  1  0.987021  0.465339  0.595541  1
  Ti  Ti33  1  0.585113  0.660903  0.612581  1
  Ti  Ti34  1  0.301963  0.094506  0.633590  1
  Ti  Ti35  1  0.703435  0.898170  0.616131  1
  Ti  Ti36  1  0.420319  0.331713  0.637804  1
  Ti  Ti37  1  0.018180  0.526878  0.654278  1
  Ti  Ti38  1  0.734301  0.959052  0.674307  1
  Ti  Ti39  1  0.136127  0.763339  0.658569  1
  Ti  Ti40  1  0.853326  0.197551  0.679161  1
  Ti  Ti41  1  0.452311  0.394808  0.694948  1
  Ti  Ti42  1  0.169171  0.828643  0.715111  1
  Ti  Ti43  1  0.569349  0.629827  0.699232  1
  Ti  Ti44  1  0.284106  0.059122  0.717950  1
