# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91676309
_cell_length_b   9.05565355
_cell_length_c   48.74820955
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.27023374
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti30
_cell_volume   1270.77941859
_cell_formula_units_Z   30
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  0.372507  0.736848  0.347052  1
  Ti  Ti2  1  0.613808  0.219444  0.294447  1
  Ti  Ti3  1  0.991044  0.973933  0.319025  1
  Ti  Ti4  1  0.762600  0.517065  0.315090  1
  Ti  Ti5  1  0.142798  0.277456  0.343541  1
  Ti  Ti6  1  0.522204  0.036281  0.370114  1
  Ti  Ti7  1  0.512813  0.017455  0.430678  1
  Ti  Ti8  1  0.753317  0.498462  0.375139  1
  Ti  Ti9  1  0.132662  0.257154  0.403037  1
  Ti  Ti10  1  0.902707  0.797284  0.398209  1
  Ti  Ti11  1  0.282710  0.557290  0.426190  1
  Ti  Ti12  1  0.662762  0.317393  0.454112  1
  Ti  Ti13  1  0.653310  0.298448  0.514435  1
  Ti  Ti14  1  0.893065  0.777959  0.458601  1
  Ti  Ti15  1  0.273213  0.538256  0.486528  1
  Ti  Ti16  1  0.042820  0.077510  0.481891  1
  Ti  Ti17  1  0.422916  0.837702  0.509798  1
  Ti  Ti18  1  0.803065  0.597999  0.537726  1
  Ti  Ti19  1  0.793423  0.578673  0.598118  1
  Ti  Ti20  1  0.033368  0.058564  0.542215  1
  Ti  Ti21  1  0.413419  0.818668  0.570136  1
  Ti  Ti22  1  0.183317  0.358503  0.565649  1
  Ti  Ti23  1  0.563467  0.118804  0.593289  1
  Ti  Ti24  1  0.942813  0.877496  0.621188  1
  Ti  Ti25  1  0.933529  0.858893  0.681237  1
  Ti  Ti26  1  0.173926  0.339677  0.626212  1
  Ti  Ti27  1  0.553332  0.098502  0.652786  1
  Ti  Ti28  1  0.323622  0.639110  0.649275  1
  Ti  Ti29  1  0.705086  0.402025  0.677301  1
  Ti  Ti30  1  0.082321  0.156514  0.701880  1
