# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74519082
_cell_length_b   12.68635872
_cell_length_c   47.54427103
_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   Ti72
_cell_volume   2862.12674689
_cell_formula_units_Z   72
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  0.752843  0.570946  0.307478  1
  Ti  Ti2  1  0.752843  0.357161  0.285014  1
  Ti  Ti3  1  0.752843  0.964837  0.296787  1
  Ti  Ti4  1  0.252843  0.705067  0.303354  1
  Ti  Ti5  1  0.252843  0.487676  0.281629  1
  Ti  Ti6  1  0.252843  0.098693  0.292731  1
  Ti  Ti7  1  0.752843  0.386750  0.345001  1
  Ti  Ti8  1  0.752843  0.173434  0.320530  1
  Ti  Ti9  1  0.752843  0.779635  0.332247  1
  Ti  Ti10  1  0.252843  0.520344  0.340823  1
  Ti  Ti11  1  0.252843  0.307111  0.316738  1
  Ti  Ti12  1  0.252843  0.914568  0.328153  1
  Ti  Ti13  1  0.752843  0.201713  0.382047  1
  Ti  Ti14  1  0.752843  0.990172  0.357414  1
  Ti  Ti15  1  0.752843  0.596679  0.369506  1
  Ti  Ti16  1  0.252843  0.335410  0.377885  1
  Ti  Ti17  1  0.252843  0.123661  0.353413  1
  Ti  Ti18  1  0.252843  0.730493  0.365063  1
  Ti  Ti19  1  0.752843  0.017224  0.419211  1
  Ti  Ti20  1  0.752843  0.806433  0.394336  1
  Ti  Ti21  1  0.752843  0.412441  0.406876  1
  Ti  Ti22  1  0.252843  0.151048  0.415019  1
  Ti  Ti23  1  0.252843  0.940130  0.390170  1
  Ti  Ti24  1  0.252843  0.546351  0.402460  1
  Ti  Ti25  1  0.752843  0.833060  0.456386  1
  Ti  Ti26  1  0.752843  0.622609  0.431632  1
  Ti  Ti27  1  0.752843  0.227973  0.444049  1
  Ti  Ti28  1  0.252843  0.966821  0.452114  1
  Ti  Ti29  1  0.252843  0.756401  0.427245  1
  Ti  Ti30  1  0.252843  0.361823  0.439723  1
  Ti  Ti31  1  0.752843  0.648852  0.493626  1
  Ti  Ti32  1  0.752843  0.438395  0.468866  1
  Ti  Ti33  1  0.752843  0.043616  0.481221  1
  Ti  Ti34  1  0.252843  0.782575  0.489265  1
  Ti  Ti35  1  0.252843  0.572165  0.464464  1
  Ti  Ti36  1  0.252843  0.177376  0.476926  1
  Ti  Ti37  1  0.752843  0.464487  0.530866  1
  Ti  Ti38  1  0.752843  0.254077  0.506064  1
  Ti  Ti39  1  0.752843  0.859277  0.518404  1
  Ti  Ti40  1  0.252843  0.598258  0.526463  1
  Ti  Ti41  1  0.252843  0.387801  0.501703  1
  Ti  Ti42  1  0.252843  0.993036  0.514108  1
  Ti  Ti43  1  0.752843  0.280251  0.568085  1
  Ti  Ti44  1  0.752843  0.069831  0.543216  1
  Ti  Ti45  1  0.752843  0.674829  0.555607  1
  Ti  Ti46  1  0.252843  0.414043  0.563697  1
  Ti  Ti47  1  0.252843  0.203593  0.538943  1
  Ti  Ti48  1  0.252843  0.808679  0.551280  1
  Ti  Ti49  1  0.752843  0.096522  0.605159  1
  Ti  Ti50  1  0.752843  0.885604  0.580310  1
  Ti  Ti51  1  0.752843  0.490301  0.592870  1
  Ti  Ti52  1  0.252843  0.230219  0.600993  1
  Ti  Ti53  1  0.252843  0.019428  0.576118  1
  Ti  Ti54  1  0.252843  0.624212  0.588454  1
  Ti  Ti55  1  0.752843  0.912991  0.641917  1
  Ti  Ti56  1  0.752843  0.701242  0.617444  1
  Ti  Ti57  1  0.752843  0.306160  0.630267  1
  Ti  Ti58  1  0.252843  0.046480  0.637916  1
  Ti  Ti59  1  0.252843  0.834939  0.613282  1
  Ti  Ti60  1  0.252843  0.439973  0.625824  1
  Ti  Ti61  1  0.752843  0.729541  0.678591  1
  Ti  Ti62  1  0.752843  0.516309  0.654507  1
  Ti  Ti63  1  0.752843  0.122085  0.667176  1
  Ti  Ti64  1  0.252843  0.863218  0.674799  1
  Ti  Ti65  1  0.252843  0.649903  0.650329  1
  Ti  Ti66  1  0.252843  0.257017  0.663082  1
  Ti  Ti67  1  0.752843  0.548976  0.713701  1
  Ti  Ti68  1  0.752843  0.331585  0.691976  1
  Ti  Ti69  1  0.752843  0.937959  0.702599  1
  Ti  Ti70  1  0.252843  0.679491  0.710316  1
  Ti  Ti71  1  0.252843  0.465706  0.687851  1
  Ti  Ti72  1  0.252843  0.071815  0.698543  1
