# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94023299
_cell_length_b   9.87600293
_cell_length_c   49.69687341
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.61716023
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti36
_cell_volume   1426.79517172
_cell_formula_units_Z   36
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  0.613019  0.717061  0.296475  1
  Ti  Ti2  1  0.845940  0.182720  0.321090  1
  Ti  Ti3  1  0.751714  0.994195  0.277993  1
  Ti  Ti4  1  0.983384  0.458699  0.301098  1
  Ti  Ti5  1  0.077938  0.646871  0.345910  1
  Ti  Ti6  1  0.311092  0.113120  0.371066  1
  Ti  Ti7  1  0.217015  0.925078  0.326276  1
  Ti  Ti8  1  0.450102  0.391545  0.350684  1
  Ti  Ti9  1  0.543655  0.578266  0.396294  1
  Ti  Ti10  1  0.776448  0.043843  0.421341  1
  Ti  Ti11  1  0.682510  0.856148  0.375847  1
  Ti  Ti12  1  0.915448  0.322077  0.400737  1
  Ti  Ti13  1  0.009132  0.509211  0.446465  1
  Ti  Ti14  1  0.241952  0.974842  0.471528  1
  Ti  Ti15  1  0.148220  0.787568  0.425902  1
  Ti  Ti16  1  0.381008  0.253151  0.450893  1
  Ti  Ti17  1  0.474671  0.440276  0.496624  1
  Ti  Ti18  1  0.707473  0.905875  0.521671  1
  Ti  Ti19  1  0.613756  0.718632  0.476006  1
  Ti  Ti20  1  0.846557  0.184231  0.501052  1
  Ti  Ti21  1  0.940221  0.371356  0.546783  1
  Ti  Ti22  1  0.173009  0.836939  0.571774  1
  Ti  Ti23  1  0.079277  0.649665  0.526148  1
  Ti  Ti24  1  0.312097  0.115296  0.551211  1
  Ti  Ti25  1  0.405780  0.302430  0.596939  1
  Ti  Ti26  1  0.638718  0.768359  0.621829  1
  Ti  Ti27  1  0.544780  0.580664  0.576335  1
  Ti  Ti28  1  0.777573  0.046241  0.601382  1
  Ti  Ti29  1  0.871127  0.232962  0.646992  1
  Ti  Ti30  1  0.104213  0.699429  0.671400  1
  Ti  Ti31  1  0.010136  0.511386  0.626610  1
  Ti  Ti32  1  0.243291  0.977636  0.651766  1
  Ti  Ti33  1  0.337844  0.165808  0.696578  1
  Ti  Ti34  1  0.569514  0.630311  0.719683  1
  Ti  Ti35  1  0.475288  0.441787  0.676587  1
  Ti  Ti36  1  0.708209  0.907445  0.701202  1
