# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84662742
_cell_length_b   12.26027888
_cell_length_c   50.24445402
_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   Ti45
_cell_volume   1753.55385524
_cell_formula_units_Z   45
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  0.463509  0.489170  0.319189  1
  Ti  Ti2  1  0.463509  0.120933  0.346939  1
  Ti  Ti3  1  0.463509  0.858683  0.294082  1
  Ti  Ti4  1  0.963509  0.326057  0.351267  1
  Ti  Ti5  1  0.963509  0.063928  0.297708  1
  Ti  Ti6  1  0.963509  0.694156  0.324145  1
  Ti  Ti7  1  0.463509  0.269414  0.302024  1
  Ti  Ti8  1  0.963509  0.915779  0.342808  1
  Ti  Ti9  1  0.963509  0.546437  0.369141  1
  Ti  Ti10  1  0.463509  0.383332  0.400925  1
  Ti  Ti11  1  0.963509  0.030053  0.442061  1
  Ti  Ti12  1  0.463509  0.751542  0.373833  1
  Ti  Ti13  1  0.463509  0.235363  0.446408  1
  Ti  Ti14  1  0.463509  0.972749  0.392328  1
  Ti  Ti15  1  0.463509  0.603936  0.419086  1
  Ti  Ti16  1  0.963509  0.178058  0.396627  1
  Ti  Ti17  1  0.963509  0.808986  0.423705  1
  Ti  Ti18  1  0.963509  0.440578  0.450768  1
  Ti  Ti19  1  0.963509  0.292687  0.496225  1
  Ti  Ti20  1  0.963509  0.923786  0.523362  1
  Ti  Ti21  1  0.963509  0.661315  0.468998  1
  Ti  Ti22  1  0.963509  0.144790  0.541647  1
  Ti  Ti23  1  0.463509  0.866403  0.473548  1
  Ti  Ti24  1  0.463509  0.497900  0.500628  1
  Ti  Ti25  1  0.463509  0.087410  0.491841  1
  Ti  Ti26  1  0.463509  0.718691  0.518868  1
  Ti  Ti27  1  0.463509  0.350064  0.546063  1
  Ti  Ti28  1  0.463509  0.202262  0.591467  1
  Ti  Ti29  1  0.463509  0.833259  0.618539  1
  Ti  Ti30  1  0.963509  0.555264  0.550499  1
  Ti  Ti31  1  0.963509  0.038503  0.622847  1
  Ti  Ti32  1  0.963509  0.776038  0.568715  1
  Ti  Ti33  1  0.963509  0.407472  0.595927  1
  Ti  Ti34  1  0.463509  0.981127  0.573147  1
  Ti  Ti35  1  0.463509  0.612642  0.600390  1
  Ti  Ti36  1  0.963509  0.259705  0.641321  1
  Ti  Ti37  1  0.463509  0.095487  0.672365  1
  Ti  Ti38  1  0.463509  0.727600  0.699985  1
  Ti  Ti39  1  0.463509  0.464943  0.645754  1
  Ti  Ti40  1  0.463509  0.947618  0.717307  1
  Ti  Ti41  1  0.963509  0.669954  0.650295  1
  Ti  Ti42  1  0.463509  0.316935  0.690983  1
  Ti  Ti43  1  0.963509  0.890753  0.668118  1
  Ti  Ti44  1  0.963509  0.521908  0.695379  1
  Ti  Ti45  1  0.963509  0.152323  0.721056  1
