# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89734379
_cell_length_b   9.94669067
_cell_length_c   49.57148057
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.46569653
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti36
_cell_volume   1413.03386642
_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  0.623146  0.732674  0.293514  1
  Ti  Ti2  1  0.857614  0.200892  0.317624  1
  Ti  Ti3  1  0.760355  0.006907  0.276301  1
  Ti  Ti4  1  0.993132  0.475106  0.298643  1
  Ti  Ti5  1  0.089705  0.665277  0.343356  1
  Ti  Ti6  1  0.323821  0.133228  0.368208  1
  Ti  Ti7  1  0.227565  0.941648  0.324291  1
  Ti  Ti8  1  0.461136  0.409472  0.348372  1
  Ti  Ti9  1  0.556775  0.598966  0.393568  1
  Ti  Ti10  1  0.790361  0.065970  0.418543  1
  Ti  Ti11  1  0.694502  0.875413  0.373714  1
  Ti  Ti12  1  0.928080  0.342554  0.398441  1
  Ti  Ti13  1  0.023629  0.532292  0.443749  1
  Ti  Ti14  1  0.257152  0.999164  0.468768  1
  Ti  Ti15  1  0.161495  0.809049  0.423703  1
  Ti  Ti16  1  0.394984  0.275865  0.448617  1
  Ti  Ti17  1  0.490497  0.465648  0.493918  1
  Ti  Ti18  1  0.723991  0.932459  0.518917  1
  Ti  Ti19  1  0.628376  0.742416  0.473791  1
  Ti  Ti20  1  0.861869  0.209227  0.498790  1
  Ti  Ti21  1  0.957383  0.399011  0.544091  1
  Ti  Ti22  1  0.190871  0.865827  0.569005  1
  Ti  Ti23  1  0.095214  0.675712  0.523940  1
  Ti  Ti24  1  0.328737  0.142583  0.548959  1
  Ti  Ti25  1  0.424287  0.332321  0.594267  1
  Ti  Ti26  1  0.657865  0.799463  0.618995  1
  Ti  Ti27  1  0.562006  0.608905  0.574165  1
  Ti  Ti28  1  0.795592  0.075909  0.599141  1
  Ti  Ti29  1  0.891230  0.265404  0.644336  1
  Ti  Ti30  1  0.124802  0.733228  0.668417  1
  Ti  Ti31  1  0.028546  0.541648  0.624500  1
  Ti  Ti32  1  0.262662  0.009599  0.649352  1
  Ti  Ti33  1  0.359235  0.199770  0.694065  1
  Ti  Ti34  1  0.592012  0.667969  0.716407  1
  Ti  Ti35  1  0.494753  0.473984  0.675084  1
  Ti  Ti36  1  0.729221  0.942202  0.699194  1
