# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95059550
_cell_length_b   15.03384497
_cell_length_c   48.36357589
_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   Ti54
_cell_volume   2145.34996736
_cell_formula_units_Z   54
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  0.252712  0.383563  0.315661  1
  Ti  Ti2  1  0.752712  0.736115  0.299346  1
  Ti  Ti3  1  0.252712  0.087321  0.283775  1
  Ti  Ti4  1  0.252712  0.568530  0.299946  1
  Ti  Ti5  1  0.752712  0.920944  0.283523  1
  Ti  Ti6  1  0.752712  0.216379  0.316070  1
  Ti  Ti7  1  0.752712  0.325346  0.365378  1
  Ti  Ti8  1  0.252712  0.677640  0.348829  1
  Ti  Ti9  1  0.752712  0.030279  0.332538  1
  Ti  Ti10  1  0.752712  0.510874  0.349200  1
  Ti  Ti11  1  0.252712  0.863572  0.332726  1
  Ti  Ti12  1  0.252712  0.158458  0.365715  1
  Ti  Ti13  1  0.252712  0.267070  0.415653  1
  Ti  Ti14  1  0.752712  0.619572  0.399071  1
  Ti  Ti15  1  0.252712  0.972309  0.382558  1
  Ti  Ti16  1  0.252712  0.452668  0.399173  1
  Ti  Ti17  1  0.752712  0.805224  0.382595  1
  Ti  Ti18  1  0.752712  0.100251  0.415919  1
  Ti  Ti19  1  0.752712  0.208910  0.465841  1
  Ti  Ti20  1  0.252712  0.561430  0.449186  1
  Ti  Ti21  1  0.752712  0.914150  0.432561  1
  Ti  Ti22  1  0.752712  0.394646  0.449314  1
  Ti  Ti23  1  0.252712  0.747264  0.432691  1
  Ti  Ti24  1  0.252712  0.042028  0.466034  1
  Ti  Ti25  1  0.252712  0.150771  0.515977  1
  Ti  Ti26  1  0.752712  0.503346  0.499318  1
  Ti  Ti27  1  0.252712  0.856036  0.482637  1
  Ti  Ti28  1  0.252712  0.336569  0.499452  1
  Ti  Ti29  1  0.752712  0.689145  0.482793  1
  Ti  Ti30  1  0.752712  0.983879  0.516133  1
  Ti  Ti31  1  0.752712  0.092651  0.566079  1
  Ti  Ti32  1  0.252712  0.445269  0.549456  1
  Ti  Ti33  1  0.752712  0.797888  0.532736  1
  Ti  Ti34  1  0.752712  0.278486  0.549584  1
  Ti  Ti35  1  0.252712  0.631006  0.532929  1
  Ti  Ti36  1  0.252712  0.925765  0.566210  1
  Ti  Ti37  1  0.252712  0.034692  0.616175  1
  Ti  Ti38  1  0.752712  0.387247  0.599597  1
  Ti  Ti39  1  0.252712  0.739664  0.582851  1
  Ti  Ti40  1  0.252712  0.220343  0.599699  1
  Ti  Ti41  1  0.752712  0.572846  0.583117  1
  Ti  Ti42  1  0.752712  0.867607  0.616212  1
  Ti  Ti43  1  0.752712  0.976343  0.666044  1
  Ti  Ti44  1  0.252712  0.329041  0.649570  1
  Ti  Ti45  1  0.752712  0.681457  0.633055  1
  Ti  Ti46  1  0.752712  0.162276  0.649941  1
  Ti  Ti47  1  0.252712  0.514570  0.633392  1
  Ti  Ti48  1  0.252712  0.809636  0.666232  1
  Ti  Ti49  1  0.252712  0.918971  0.715247  1
  Ti  Ti50  1  0.752712  0.271385  0.698824  1
  Ti  Ti51  1  0.252712  0.623537  0.682700  1
  Ti  Ti52  1  0.252712  0.103800  0.699424  1
  Ti  Ti53  1  0.752712  0.456353  0.683109  1
  Ti  Ti54  1  0.752712  0.752594  0.714995  1
