# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86645454
_cell_length_b   9.22479720
_cell_length_c   49.54489349
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti64
_cell_volume   2543.62269045
_cell_formula_units_Z   64
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  0.339863  0.671798  0.294989  1
  Ti  Ti2  1  0.561593  0.117779  0.321467  1
  Ti  Ti3  1  0.451189  0.398479  0.308172  1
  Ti  Ti4  1  0.669824  0.836363  0.336395  1
  Ti  Ti5  1  0.948832  0.393655  0.307532  1
  Ti  Ti6  1  0.721638  0.939304  0.285472  1
  Ti  Ti7  1  0.835730  0.671620  0.294991  1
  Ti  Ti8  1  0.059855  0.117765  0.321455  1
  Ti  Ti9  1  0.783752  0.561517  0.348342  1
  Ti  Ti10  1  0.004644  0.005298  0.376360  1
  Ti  Ti11  1  0.892956  0.283191  0.362290  1
  Ti  Ti12  1  0.114894  0.727697  0.390121  1
  Ti  Ti13  1  0.393196  0.283715  0.362337  1
  Ti  Ti14  1  0.172401  0.841552  0.333772  1
  Ti  Ti15  1  0.280780  0.561533  0.348341  1
  Ti  Ti16  1  0.503022  0.005288  0.376366  1
  Ti  Ti17  1  0.224951  0.448800  0.404355  1
  Ti  Ti18  1  0.446849  0.892974  0.432373  1
  Ti  Ti19  1  0.336311  0.171110  0.418361  1
  Ti  Ti20  1  0.557688  0.614421  0.446500  1
  Ti  Ti21  1  0.836119  0.170716  0.418314  1
  Ti  Ti22  1  0.613946  0.725802  0.390952  1
  Ti  Ti23  1  0.725653  0.448795  0.404354  1
  Ti  Ti24  1  0.947362  0.892978  0.432371  1
  Ti  Ti25  1  0.668814  0.336716  0.460310  1
  Ti  Ti26  1  0.890455  0.780730  0.488296  1
  Ti  Ti27  1  0.779561  0.058733  0.474301  1
  Ti  Ti28  1  0.001334  0.502848  0.502202  1
  Ti  Ti29  1  0.279603  0.058820  0.474314  1
  Ti  Ti30  1  0.057984  0.615018  0.446229  1
  Ti  Ti31  1  0.168572  0.336718  0.460310  1
  Ti  Ti32  1  0.390378  0.780728  0.488297  1
  Ti  Ti33  1  0.112120  0.224624  0.516254  1
  Ti  Ti34  1  0.333926  0.668633  0.544241  1
  Ti  Ti35  1  0.222895  0.946531  0.530238  1
  Ti  Ti36  1  0.444514  0.390333  0.558323  1
  Ti  Ti37  1  0.722937  0.946619  0.530250  1
  Ti  Ti38  1  0.501164  0.502504  0.502349  1
  Ti  Ti39  1  0.612043  0.224621  0.516255  1
  Ti  Ti40  1  0.833683  0.668635  0.544242  1
  Ti  Ti41  1  0.555136  0.112373  0.572181  1
  Ti  Ti42  1  0.776845  0.556556  0.600197  1
  Ti  Ti43  1  0.666379  0.834636  0.586238  1
  Ti  Ti44  1  0.888552  0.279549  0.613600  1
  Ti  Ti45  1  0.166187  0.834242  0.586191  1
  Ti  Ti46  1  0.944810  0.390930  0.558051  1
  Ti  Ti47  1  0.055649  0.112377  0.572178  1
  Ti  Ti48  1  0.277547  0.556551  0.600196  1
  Ti  Ti49  1  0.999476  1.000063  0.628186  1
  Ti  Ti50  1  0.221717  0.443818  0.656211  1
  Ti  Ti51  1  0.109302  0.721636  0.642214  1
  Ti  Ti52  1  0.330097  0.163799  0.670779  1
  Ti  Ti53  1  0.609542  0.722160  0.642261  1
  Ti  Ti54  1  0.387603  0.277655  0.614430  1
  Ti  Ti55  1  0.497854  1.000053  0.628191  1
  Ti  Ti56  1  0.718746  0.443835  0.656210  1
  Ti  Ti57  1  0.442643  0.887587  0.683096  1
  Ti  Ti58  1  0.666768  0.333731  0.709560  1
  Ti  Ti59  1  0.553665  0.611697  0.697019  1
  Ti  Ti60  1  0.780859  0.066048  0.719079  1
  Ti  Ti61  1  0.051309  0.606873  0.696379  1
  Ti  Ti62  1  0.832674  0.168989  0.668156  1
  Ti  Ti63  1  0.940905  0.887572  0.683084  1
  Ti  Ti64  1  0.162634  0.333553  0.709562  1
