# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10817825
_cell_length_b   9.86178763
_cell_length_c   46.93815373
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.95867127
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti56
_cell_volume   2283.53362064
_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  0.213600  0.912126  0.286813  1
  Ti  Ti2  1  0.976536  0.394143  0.300943  1
  Ti  Ti3  1  0.752074  0.153187  0.293403  1
  Ti  Ti4  1  0.509781  0.637760  0.307956  1
  Ti  Ti5  1  0.731111  0.880971  0.315329  1
  Ti  Ti6  1  0.486496  0.371757  0.331444  1
  Ti  Ti7  1  0.269198  0.127958  0.323830  1
  Ti  Ti8  1  0.024385  0.615908  0.338677  1
  Ti  Ti9  1  0.242141  0.859033  0.346997  1
  Ti  Ti10  1  0.996527  0.347556  0.362334  1
  Ti  Ti11  1  0.783158  0.102399  0.354340  1
  Ti  Ti12  1  0.538956  0.591292  0.369984  1
  Ti  Ti13  1  0.753026  0.834953  0.377875  1
  Ti  Ti14  1  0.509106  0.322864  0.393669  1
  Ti  Ti15  1  0.295490  0.079076  0.385878  1
  Ti  Ti16  1  0.051552  0.567095  0.401404  1
  Ti  Ti17  1  0.265072  0.810836  0.409410  1
  Ti  Ti18  1  0.021024  0.298990  0.425034  1
  Ti  Ti19  1  0.807738  0.054850  0.417165  1
  Ti  Ti20  1  0.563749  0.542896  0.432814  1
  Ti  Ti21  1  0.777075  0.786867  0.440684  1
  Ti  Ti22  1  0.533135  0.274865  0.456378  1
  Ti  Ti23  1  0.319806  0.030889  0.448557  1
  Ti  Ti24  1  0.075817  0.518904  0.464188  1
  Ti  Ti25  1  0.289173  0.762795  0.472075  1
  Ti  Ti26  1  0.045157  0.250840  0.487735  1
  Ti  Ti27  1  0.831882  0.006810  0.479895  1
  Ti  Ti28  1  0.587896  0.494813  0.495567  1
  Ti  Ti29  1  0.801199  0.738781  0.503425  1
  Ti  Ti30  1  0.557213  0.226784  0.519097  1
  Ti  Ti31  1  0.343938  0.982755  0.511257  1
  Ti  Ti32  1  0.099922  0.470799  0.526917  1
  Ti  Ti33  1  0.313278  0.714691  0.534804  1
  Ti  Ti34  1  0.069290  0.202705  0.550435  1
  Ti  Ti35  1  0.855960  0.958729  0.542614  1
  Ti  Ti36  1  0.612021  0.446727  0.558308  1
  Ti  Ti37  1  0.825347  0.690698  0.566178  1
  Ti  Ti38  1  0.581358  0.178744  0.581827  1
  Ti  Ti39  1  0.368071  0.934604  0.573958  1
  Ti  Ti40  1  0.124023  0.422759  0.589581  1
  Ti  Ti41  1  0.337544  0.666500  0.597588  1
  Ti  Ti42  1  0.093605  0.154518  0.613114  1
  Ti  Ti43  1  0.879990  0.910730  0.605322  1
  Ti  Ti44  1  0.636069  0.398641  0.621117  1
  Ti  Ti45  1  0.850140  0.642303  0.629007  1
  Ti  Ti46  1  0.605938  0.131195  0.644652  1
  Ti  Ti47  1  0.392569  0.886038  0.636658  1
  Ti  Ti48  1  0.146955  0.374561  0.651994  1
  Ti  Ti49  1  0.364711  0.617686  0.660315  1
  Ti  Ti50  1  0.119897  0.105636  0.675162  1
  Ti  Ti51  1  0.902599  0.861837  0.667548  1
  Ti  Ti52  1  0.657985  0.352623  0.683663  1
  Ti  Ti53  1  0.879314  0.595834  0.691036  1
  Ti  Ti54  1  0.637022  0.080407  0.705589  1
  Ti  Ti55  1  0.412560  0.839451  0.698049  1
  Ti  Ti56  1  0.175496  0.321468  0.712179  1
