# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85086414
_cell_length_b   9.20146075
_cell_length_c   49.79829743
_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   2543.38755015
_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  0.339148  0.676360  0.291554  1
  Ti  Ti2  1  0.558473  0.117889  0.318025  1
  Ti  Ti3  1  0.450980  0.397832  0.304146  1
  Ti  Ti4  1  0.670926  0.838170  0.333751  1
  Ti  Ti5  1  0.949186  0.394178  0.303866  1
  Ti  Ti6  1  0.724846  0.945828  0.281079  1
  Ti  Ti7  1  0.841154  0.676155  0.291566  1
  Ti  Ti8  1  0.063342  0.117847  0.317991  1
  Ti  Ti9  1  0.783348  0.560950  0.346017  1
  Ti  Ti10  1  0.005670  0.006723  0.374119  1
  Ti  Ti11  1  0.893260  0.283005  0.359703  1
  Ti  Ti12  1  0.115684  0.728241  0.387713  1
  Ti  Ti13  1  0.393841  0.284291  0.359879  1
  Ti  Ti14  1  0.173060  0.842411  0.331655  1
  Ti  Ti15  1  0.281178  0.560998  0.346010  1
  Ti  Ti16  1  0.504337  0.006698  0.374125  1
  Ti  Ti17  1  0.225779  0.449342  0.401864  1
  Ti  Ti18  1  0.448169  0.893956  0.429985  1
  Ti  Ti19  1  0.337591  0.172251  0.416019  1
  Ti  Ti20  1  0.559192  0.615451  0.444011  1
  Ti  Ti21  1  0.837508  0.171948  0.415963  1
  Ti  Ti22  1  0.614990  0.726842  0.388382  1
  Ti  Ti23  1  0.726660  0.449329  0.401867  1
  Ti  Ti24  1  0.948706  0.893969  0.429982  1
  Ti  Ti25  1  0.670544  0.337998  0.457932  1
  Ti  Ti26  1  0.892444  0.782043  0.485891  1
  Ti  Ti27  1  0.781494  0.060069  0.471942  1
  Ti  Ti28  1  0.003604  0.504236  0.499867  1
  Ti  Ti29  1  0.281454  0.060114  0.471956  1
  Ti  Ti30  1  0.059403  0.615928  0.443798  1
  Ti  Ti31  1  0.170330  0.337997  0.457936  1
  Ti  Ti32  1  0.392453  0.782015  0.485898  1
  Ti  Ti33  1  0.114554  0.226273  0.513925  1
  Ti  Ti34  1  0.336677  0.670291  0.541887  1
  Ti  Ti35  1  0.225553  0.948174  0.527867  1
  Ti  Ti36  1  0.447604  0.392359  0.556025  1
  Ti  Ti37  1  0.725512  0.948218  0.527880  1
  Ti  Ti38  1  0.503403  0.504052  0.499955  1
  Ti  Ti39  1  0.614562  0.226244  0.513931  1
  Ti  Ti40  1  0.836462  0.670290  0.541890  1
  Ti  Ti41  1  0.558300  0.114318  0.569840  1
  Ti  Ti42  1  0.780346  0.558958  0.597955  1
  Ti  Ti43  1  0.669499  0.836339  0.583859  1
  Ti  Ti44  1  0.892016  0.281446  0.611440  1
  Ti  Ti45  1  0.169415  0.836037  0.583803  1
  Ti  Ti46  1  0.947814  0.392836  0.555812  1
  Ti  Ti47  1  0.058837  0.114331  0.569838  1
  Ti  Ti48  1  0.281228  0.558945  0.597959  1
  Ti  Ti49  1  1.002669  1.001589  0.625697  1
  Ti  Ti50  1  0.225829  0.447289  0.653812  1
  Ti  Ti51  1  0.113165  0.723997  0.639944  1
  Ti  Ti52  1  0.333947  0.165877  0.668168  1
  Ti  Ti53  1  0.613746  0.725283  0.640120  1
  Ti  Ti54  1  0.391322  0.280046  0.612109  1
  Ti  Ti55  1  0.501337  1.001565  0.625703  1
  Ti  Ti56  1  0.723659  0.447338  0.653806  1
  Ti  Ti57  1  0.443665  0.890441  0.681831  1
  Ti  Ti58  1  0.665853  0.332132  0.708256  1
  Ti  Ti59  1  0.557820  0.614109  0.695957  1
  Ti  Ti60  1  0.782160  0.062459  0.718743  1
  Ti  Ti61  1  0.056026  0.610455  0.695676  1
  Ti  Ti62  1  0.836080  0.170117  0.666072  1
  Ti  Ti63  1  0.948534  0.890399  0.681797  1
  Ti  Ti64  1  0.167858  0.331928  0.708269  1
