# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70863087
_cell_length_b   10.59892049
_cell_length_c   51.42946958
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti66
_cell_volume   2566.65989498
_cell_formula_units_Z   66
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  0.494180  0.797408  0.268526  1
  Ti  Ti2  1  0.994180  0.186708  0.233546  1
  Ti  Ti3  1  0.494180  0.340376  0.242325  1
  Ti  Ti4  1  0.994180  0.914389  0.246258  1
  Ti  Ti5  1  0.994180  0.640405  0.259254  1
  Ti  Ti6  1  0.494180  0.068962  0.254945  1
  Ti  Ti7  1  0.494180  0.989370  0.310054  1
  Ti  Ti8  1  0.994180  0.374299  0.273867  1
  Ti  Ti9  1  0.494180  0.530296  0.282956  1
  Ti  Ti10  1  0.994180  0.104787  0.287152  1
  Ti  Ti11  1  0.994180  0.834216  0.300522  1
  Ti  Ti12  1  0.494180  0.259492  0.296468  1
  Ti  Ti13  1  0.494180  0.181720  0.352113  1
  Ti  Ti14  1  0.994180  0.566440  0.314789  1
  Ti  Ti15  1  0.494180  0.721170  0.324160  1
  Ti  Ti16  1  0.994180  0.296765  0.328920  1
  Ti  Ti17  1  0.994180  1.026896  0.342564  1
  Ti  Ti18  1  0.494180  0.451595  0.338257  1
  Ti  Ti19  1  0.494180  0.374276  0.393927  1
  Ti  Ti20  1  0.994180  0.758160  0.356510  1
  Ti  Ti21  1  0.494180  0.912882  0.366007  1
  Ti  Ti22  1  0.994180  0.489018  0.370562  1
  Ti  Ti23  1  0.994180  0.219428  0.384459  1
  Ti  Ti24  1  0.494180  0.643810  0.379972  1
  Ti  Ti25  1  0.494180  0.566622  0.435710  1
  Ti  Ti26  1  0.994180  0.950286  0.398339  1
  Ti  Ti27  1  0.494180  0.105015  0.407862  1
  Ti  Ti28  1  0.994180  0.681159  0.412296  1
  Ti  Ti29  1  0.994180  0.411819  0.426249  1
  Ti  Ti30  1  0.494180  0.835895  0.421778  1
  Ti  Ti31  1  0.494180  0.758892  0.477516  1
  Ti  Ti32  1  0.994180  0.142545  0.440176  1
  Ti  Ti33  1  0.494180  0.297321  0.449662  1
  Ti  Ti34  1  0.994180  0.873355  0.454092  1
  Ti  Ti35  1  0.994180  0.604116  0.468031  1
  Ti  Ti36  1  0.494180  1.028082  0.463600  1
  Ti  Ti37  1  0.494180  0.951151  0.519353  1
  Ti  Ti38  1  0.994180  0.334815  0.481983  1
  Ti  Ti39  1  0.494180  0.489618  0.491443  1
  Ti  Ti40  1  0.994180  0.065542  0.495914  1
  Ti  Ti41  1  0.994180  0.796423  0.509830  1
  Ti  Ti42  1  0.494180  0.220278  0.505396  1
  Ti  Ti43  1  0.494180  0.143277  0.561182  1
  Ti  Ti44  1  0.994180  0.527161  0.523765  1
  Ti  Ti45  1  0.494180  0.682009  0.533233  1
  Ti  Ti46  1  0.994180  0.257627  0.537720  1
  Ti  Ti47  1  0.994180  0.988555  0.551686  1
  Ti  Ti48  1  0.494180  0.412419  0.547131  1
  Ti  Ti49  1  0.494180  0.334997  0.602903  1
  Ti  Ti50  1  0.994180  0.719717  0.565579  1
  Ti  Ti51  1  0.494180  0.874541  0.575129  1
  Ti  Ti52  1  0.994180  0.449842  0.579435  1
  Ti  Ti53  1  0.994180  0.180267  0.593532  1
  Ti  Ti54  1  0.494180  0.604672  0.588772  1
  Ti  Ti55  1  0.494180  0.527138  0.643825  1
  Ti  Ti56  1  0.994180  0.912067  0.607638  1
  Ti  Ti57  1  0.494180  0.067221  0.617170  1
  Ti  Ti58  1  0.994180  0.641945  0.621224  1
  Ti  Ti59  1  0.994180  0.371141  0.634736  1
  Ti  Ti60  1  0.494180  0.796650  0.630541  1
  Ti  Ti61  1  0.494180  0.714729  0.684146  1
  Ti  Ti62  1  0.994180  0.104029  0.649166  1
  Ti  Ti63  1  0.494180  0.261032  0.658438  1
  Ti  Ti64  1  0.994180  0.832475  0.662747  1
  Ti  Ti65  1  0.994180  0.561062  0.675367  1
  Ti  Ti66  1  0.494180  0.987048  0.671435  1
