# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14478000
_cell_length_b   13.14957206
_cell_length_c   51.58125872
_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   Ti72
_cell_volume   2811.28605984
_cell_formula_units_Z   72
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  1.003361  0.151157  0.276535  1
  Ti  Ti2  1  1.003361  0.745966  0.325880  1
  Ti  Ti3  1  1.003361  0.445569  0.299464  1
  Ti  Ti4  1  0.503361  0.297411  0.287895  1
  Ti  Ti5  1  0.503361  0.894839  0.338216  1
  Ti  Ti6  1  0.503361  0.594477  0.312468  1
  Ti  Ti7  1  0.503361  0.094477  0.312468  1
  Ti  Ti8  1  0.503361  0.797411  0.287895  1
  Ti  Ti9  1  0.503361  0.394839  0.338216  1
  Ti  Ti10  1  1.003361  0.245966  0.325880  1
  Ti  Ti11  1  1.003361  0.945569  0.299464  1
  Ti  Ti12  1  1.003361  0.651157  0.276535  1
  Ti  Ti13  1  1.003361  0.044468  0.350667  1
  Ti  Ti14  1  1.003361  0.644267  0.402301  1
  Ti  Ti15  1  1.003361  0.344896  0.376815  1
  Ti  Ti16  1  0.503361  0.194400  0.363701  1
  Ti  Ti17  1  0.503361  0.794168  0.415235  1
  Ti  Ti18  1  0.503361  0.494624  0.389497  1
  Ti  Ti19  1  0.503361  0.994624  0.389497  1
  Ti  Ti20  1  0.503361  0.694400  0.363701  1
  Ti  Ti21  1  0.503361  0.294168  0.415235  1
  Ti  Ti22  1  1.003361  0.144267  0.402301  1
  Ti  Ti23  1  1.003361  0.844896  0.376815  1
  Ti  Ti24  1  1.003361  0.544468  0.350667  1
  Ti  Ti25  1  1.003361  0.944185  0.428131  1
  Ti  Ti26  1  1.003361  0.543609  0.479545  1
  Ti  Ti27  1  1.003361  0.243818  0.453802  1
  Ti  Ti28  1  0.503361  0.093996  0.440947  1
  Ti  Ti29  1  0.503361  0.693469  0.492400  1
  Ti  Ti30  1  0.503361  0.393707  0.466680  1
  Ti  Ti31  1  0.503361  0.893707  0.466680  1
  Ti  Ti32  1  0.503361  0.593996  0.440947  1
  Ti  Ti33  1  0.503361  0.193469  0.492400  1
  Ti  Ti34  1  1.003361  0.043609  0.479545  1
  Ti  Ti35  1  1.003361  0.743818  0.453802  1
  Ti  Ti36  1  1.003361  0.444185  0.428131  1
  Ti  Ti37  1  1.003361  0.843322  0.505262  1
  Ti  Ti38  1  1.003361  0.442795  0.556715  1
  Ti  Ti39  1  1.003361  0.143084  0.530981  1
  Ti  Ti40  1  0.503361  0.993182  0.518117  1
  Ti  Ti41  1  0.503361  0.592606  0.569531  1
  Ti  Ti42  1  0.503361  0.292974  0.543860  1
  Ti  Ti43  1  0.503361  0.792974  0.543860  1
  Ti  Ti44  1  0.503361  0.493182  0.518117  1
  Ti  Ti45  1  0.503361  0.092606  0.569531  1
  Ti  Ti46  1  1.003361  0.942795  0.556715  1
  Ti  Ti47  1  1.003361  0.643084  0.530981  1
  Ti  Ti48  1  1.003361  0.343322  0.505262  1
  Ti  Ti49  1  1.003361  0.742623  0.582427  1
  Ti  Ti50  1  1.003361  0.342391  0.633961  1
  Ti  Ti51  1  1.003361  0.042167  0.608165  1
  Ti  Ti52  1  0.503361  0.892524  0.595361  1
  Ti  Ti53  1  0.503361  0.492323  0.646995  1
  Ti  Ti54  1  0.503361  0.191895  0.620847  1
  Ti  Ti55  1  0.503361  0.691895  0.620847  1
  Ti  Ti56  1  0.503361  0.392524  0.595361  1
  Ti  Ti57  1  0.503361  0.992323  0.646995  1
  Ti  Ti58  1  1.003361  0.842391  0.633961  1
  Ti  Ti59  1  1.003361  0.542167  0.608165  1
  Ti  Ti60  1  1.003361  0.242623  0.582427  1
  Ti  Ti61  1  1.003361  0.641953  0.659446  1
  Ti  Ti62  1  1.003361  0.239380  0.709767  1
  Ti  Ti63  1  1.003361  0.942314  0.685194  1
  Ti  Ti64  1  0.503361  0.790825  0.671782  1
  Ti  Ti65  1  0.503361  0.385634  0.721127  1
  Ti  Ti66  1  0.503361  0.091222  0.698198  1
  Ti  Ti67  1  0.503361  0.591222  0.698198  1
  Ti  Ti68  1  0.503361  0.290825  0.671782  1
  Ti  Ti69  1  0.503361  0.885634  0.721127  1
  Ti  Ti70  1  1.003361  0.739380  0.709767  1
  Ti  Ti71  1  1.003361  0.442314  0.685194  1
  Ti  Ti72  1  1.003361  0.141953  0.659446  1
