# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02769090
_cell_length_b   9.92389486
_cell_length_c   46.84256526
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.77285994
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti56
_cell_volume   2259.91884474
_cell_formula_units_Z   56
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  0.128544  0.920608  0.284509  1
  Ti  Ti2  1  0.380098  0.405073  0.297812  1
  Ti  Ti3  1  0.914307  0.162058  0.290516  1
  Ti  Ti4  1  0.151260  0.648319  0.304170  1
  Ti  Ti5  1  0.618390  0.891196  0.312077  1
  Ti  Ti6  1  0.869086  0.383049  0.327949  1
  Ti  Ti7  1  0.404871  0.139425  0.320508  1
  Ti  Ti8  1  0.645174  0.627529  0.335092  1
  Ti  Ti9  1  0.110808  0.870287  0.344163  1
  Ti  Ti10  1  0.355719  0.359482  0.359218  1
  Ti  Ti11  1  0.892544  0.113890  0.351328  1
  Ti  Ti12  1  0.135808  0.603348  0.366646  1
  Ti  Ti13  1  0.599268  0.847206  0.374807  1
  Ti  Ti14  1  0.844505  0.335738  0.390386  1
  Ti  Ti15  1  0.381669  0.091902  0.382728  1
  Ti  Ti16  1  0.625278  0.580252  0.398043  1
  Ti  Ti17  1  0.088419  0.823988  0.406303  1
  Ti  Ti18  1  0.333226  0.312756  0.421834  1
  Ti  Ti19  1  0.869900  0.068302  0.413987  1
  Ti  Ti20  1  0.113791  0.556721  0.429521  1
  Ti  Ti21  1  0.577148  0.800808  0.437554  1
  Ti  Ti22  1  0.821672  0.289317  0.453180  1
  Ti  Ti23  1  0.358358  0.045145  0.445391  1
  Ti  Ti24  1  0.602497  0.533598  0.460948  1
  Ti  Ti25  1  0.065811  0.777545  0.468956  1
  Ti  Ti26  1  0.310157  0.266079  0.484570  1
  Ti  Ti27  1  0.846762  0.021816  0.476741  1
  Ti  Ti28  1  0.090981  0.510250  0.492356  1
  Ti  Ti29  1  0.554362  0.754353  0.500332  1
  Ti  Ti30  1  0.798581  0.242787  0.515947  1
  Ti  Ti31  1  0.335186  0.998523  0.508118  1
  Ti  Ti32  1  0.579532  0.487057  0.523732  1
  Ti  Ti33  1  0.042846  0.731005  0.531740  1
  Ti  Ti34  1  0.286984  0.219458  0.547297  1
  Ti  Ti35  1  0.823671  0.975286  0.539508  1
  Ti  Ti36  1  0.068195  0.463794  0.555134  1
  Ti  Ti37  1  0.531552  0.707882  0.563167  1
  Ti  Ti38  1  0.775443  0.196300  0.578701  1
  Ti  Ti39  1  0.312117  0.951847  0.570854  1
  Ti  Ti40  1  0.556924  0.440614  0.586385  1
  Ti  Ti41  1  0.020065  0.684350  0.594645  1
  Ti  Ti42  1  0.263674  0.172701  0.609960  1
  Ti  Ti43  1  0.800838  0.928865  0.602302  1
  Ti  Ti44  1  0.046075  0.417397  0.617881  1
  Ti  Ti45  1  0.509535  0.661255  0.626042  1
  Ti  Ti46  1  0.752799  0.150713  0.641360  1
  Ti  Ti47  1  0.289624  0.905120  0.633470  1
  Ti  Ti48  1  0.534535  0.394315  0.648525  1
  Ti  Ti49  1  1.000169  0.637074  0.657596  1
  Ti  Ti50  1  0.240472  0.125177  0.672180  1
  Ti  Ti51  1  0.776257  0.881553  0.664739  1
  Ti  Ti52  1  0.026953  0.373407  0.680611  1
  Ti  Ti53  1  0.494083  0.616283  0.688518  1
  Ti  Ti54  1  0.731036  0.102545  0.702172  1
  Ti  Ti55  1  0.265245  0.859530  0.694876  1
  Ti  Ti56  1  0.516799  0.343995  0.708179  1
