# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14293120
_cell_length_b   8.88153749
_cell_length_c   58.31253693
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.69377166
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti54
_cell_volume   2084.65445882
_cell_formula_units_Z   54
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  0.900218  0.231914  0.179279  1
  Ti  Ti2  1  1.052476  0.537196  0.202675  1
  Ti  Ti3  1  0.199020  0.829563  0.229262  1
  Ti  Ti4  1  0.964708  0.360983  0.246103  1
  Ti  Ti5  1  0.670121  0.772816  0.194857  1
  Ti  Ti6  1  0.816434  0.064417  0.221009  1
  Ti  Ti7  1  0.435570  0.302759  0.211706  1
  Ti  Ti8  1  0.582057  0.595734  0.237644  1
  Ti  Ti9  1  0.285292  1.003062  0.186795  1
  Ti  Ti10  1  0.346958  0.125328  0.254977  1
  Ti  Ti11  1  0.493594  0.418696  0.281090  1
  Ti  Ti12  1  0.640576  0.712553  0.307311  1
  Ti  Ti13  1  0.405381  0.242219  0.324622  1
  Ti  Ti14  1  0.111024  0.653490  0.272522  1
  Ti  Ti15  1  0.258426  0.948238  0.298561  1
  Ti  Ti16  1  0.876125  0.183710  0.289773  1
  Ti  Ti17  1  1.022934  0.477316  0.315963  1
  Ti  Ti18  1  0.728708  0.888742  0.263946  1
  Ti  Ti19  1  0.787770  1.006970  0.333327  1
  Ti  Ti20  1  0.934730  0.300901  0.359445  1
  Ti  Ti21  1  1.081795  0.595023  0.385542  1
  Ti  Ti22  1  0.846478  0.124395  0.402939  1
  Ti  Ti23  1  0.552369  0.536167  0.350763  1
  Ti  Ti24  1  0.699468  0.830369  0.376835  1
  Ti  Ti25  1  0.317113  0.065665  0.368132  1
  Ti  Ti26  1  0.464124  0.359685  0.394243  1
  Ti  Ti27  1  0.170073  0.771565  0.342056  1
  Ti  Ti28  1  0.228845  0.889127  0.411633  1
  Ti  Ti29  1  0.375854  0.183153  0.437736  1
  Ti  Ti30  1  0.522954  0.477355  0.463809  1
  Ti  Ti31  1  0.287552  1.006552  0.481245  1
  Ti  Ti32  1  0.993528  0.418499  0.429029  1
  Ti  Ti33  1  0.140593  0.712621  0.455127  1
  Ti  Ti34  1  0.758210  0.947857  0.446439  1
  Ti  Ti35  1  0.905249  0.241957  0.472516  1
  Ti  Ti36  1  0.611199  0.653837  0.420328  1
  Ti  Ti37  1  0.669941  0.771303  0.489950  1
  Ti  Ti38  1  0.816897  0.065284  0.516011  1
  Ti  Ti39  1  0.964298  0.360032  0.542050  1
  Ti  Ti40  1  0.728365  0.888194  0.559594  1
  Ti  Ti41  1  0.434747  0.300969  0.507260  1
  Ti  Ti42  1  0.581729  0.594826  0.533482  1
  Ti  Ti43  1  0.199198  0.829812  0.524798  1
  Ti  Ti44  1  0.346615  0.124780  0.550625  1
  Ti  Ti45  1  1.052389  0.536206  0.498609  1
  Ti  Ti46  1  0.110614  0.652539  0.568469  1
  Ti  Ti47  1  0.258889  0.949105  0.593562  1
  Ti  Ti48  1  0.405202  0.240706  0.619715  1
  Ti  Ti49  1  0.175105  0.781608  0.635293  1
  Ti  Ti50  1  0.876303  0.183959  0.585310  1
  Ti  Ti51  1  1.022847  0.476326  0.611896  1
  Ti  Ti52  1  0.639753  0.710763  0.602865  1
  Ti  Ti53  1  0.790031  1.010460  0.627776  1
  Ti  Ti54  1  0.493265  0.417788  0.576928  1
