# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84018179
_cell_length_b   12.24082638
_cell_length_c   50.02995068
_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   1739.3498811
_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  0.058516  0.429147  0.309299  1
  Ti  Ti2  1  0.031102  0.065226  0.336364  1
  Ti  Ti3  1  0.021261  0.798185  0.282609  1
  Ti  Ti4  1  0.342607  0.279578  0.348067  1
  Ti  Ti5  1  0.471345  0.002299  0.287735  1
  Ti  Ti6  1  0.497526  0.639203  0.315028  1
  Ti  Ti7  1  0.703230  0.218096  0.298891  1
  Ti  Ti8  1  0.587127  0.857965  0.329695  1
  Ti  Ti9  1  0.649607  0.495295  0.357828  1
  Ti  Ti10  1  0.006725  0.353773  0.398335  1
  Ti  Ti11  1  0.972690  0.997693  0.430565  1
  Ti  Ti12  1  0.053354  0.707130  0.364939  1
  Ti  Ti13  1  0.349598  0.209648  0.438383  1
  Ti  Ti14  1  0.294812  0.926913  0.380107  1
  Ti  Ti15  1  0.329873  0.569154  0.408489  1
  Ti  Ti16  1  0.696730  0.136825  0.387754  1
  Ti  Ti17  1  0.715737  0.779589  0.416665  1
  Ti  Ti18  1  0.667390  0.425304  0.448856  1
  Ti  Ti19  1  0.010159  0.281768  0.489087  1
  Ti  Ti20  1  0.038015  0.922915  0.518454  1
  Ti  Ti21  1  0.997303  0.639597  0.459370  1
  Ti  Ti22  1  0.299470  0.141719  0.531544  1
  Ti  Ti23  1  0.376471  0.850791  0.467814  1
  Ti  Ti24  1  0.337970  0.496255  0.499679  1
  Ti  Ti25  1  0.637926  0.069595  0.480904  1
  Ti  Ti26  1  0.665781  0.710743  0.510271  1
  Ti  Ti27  1  0.678638  0.352913  0.539988  1
  Ti  Ti28  1  0.960204  0.212921  0.582693  1
  Ti  Ti29  1  0.979211  0.855685  0.611604  1
  Ti  Ti30  1  0.008551  0.567206  0.550502  1
  Ti  Ti31  1  0.381129  0.065598  0.619251  1
  Ti  Ti32  1  0.326343  0.782862  0.560976  1
  Ti  Ti33  1  0.346068  0.423356  0.590870  1
  Ti  Ti34  1  0.703251  0.994818  0.568793  1
  Ti  Ti35  1  0.669216  0.638737  0.601023  1
  Ti  Ti36  1  0.622587  0.285380  0.634419  1
  Ti  Ti37  1  0.088813  0.134545  0.669663  1
  Ti  Ti38  1  0.972711  0.774415  0.700467  1
  Ti  Ti39  1  0.026334  0.497216  0.641530  1
  Ti  Ti40  1  0.204596  0.990211  0.711624  1
  Ti  Ti41  1  0.333334  0.712933  0.651291  1
  Ti  Ti42  1  0.178415  0.353308  0.684331  1
  Ti  Ti43  1  0.644839  0.927284  0.662994  1
  Ti  Ti44  1  0.617425  0.563364  0.690059  1
  Ti  Ti45  1  0.654680  0.194325  0.716750  1
