# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94948528
_cell_length_b   12.24130297
_cell_length_c   47.84811399
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.93742132
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti44
_cell_volume   1714.93392554
_cell_formula_units_Z   44
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  0.118898  0.732054  0.280059  1
  Ti  Ti2  1  0.836126  0.166344  0.299283  1
  Ti  Ti3  1  0.236988  0.968352  0.282865  1
  Ti  Ti4  1  0.954930  0.404286  0.302973  1
  Ti  Ti5  1  0.552489  0.599228  0.320140  1
  Ti  Ti6  1  0.269936  0.034036  0.340689  1
  Ti  Ti7  1  0.672232  0.838827  0.324231  1
  Ti  Ti8  1  0.388786  0.271893  0.344287  1
  Ti  Ti9  1  0.986013  0.466222  0.361471  1
  Ti  Ti10  1  0.703017  0.900203  0.382728  1
  Ti  Ti11  1  0.105198  0.704745  0.365275  1
  Ti  Ti12  1  0.822180  0.138660  0.386090  1
  Ti  Ti13  1  0.419582  0.333327  0.403380  1
  Ti  Ti14  1  0.136170  0.766501  0.424338  1
  Ti  Ti15  1  0.538641  0.571601  0.406951  1
  Ti  Ti16  1  0.255549  0.005384  0.427963  1
  Ti  Ti17  1  0.852989  0.200120  0.445189  1
  Ti  Ti18  1  0.569559  0.633260  0.466064  1
  Ti  Ti19  1  0.972117  0.438524  0.448765  1
  Ti  Ti20  1  0.688812  0.871899  0.469675  1
  Ti  Ti21  1  0.286323  0.066773  0.486987  1
  Ti  Ti22  1  1.002953  0.500027  0.507847  1
  Ti  Ti23  1  0.405507  0.305280  0.490558  1
  Ti  Ti24  1  0.122137  0.738534  0.511418  1
  Ti  Ti25  1  0.719648  0.933408  0.528730  1
  Ti  Ti26  1  0.436342  0.366783  0.549640  1
  Ti  Ti27  1  0.838901  0.172047  0.532342  1
  Ti  Ti28  1  0.555471  0.605187  0.553216  1
  Ti  Ti29  1  0.152911  0.799923  0.570442  1
  Ti  Ti30  1  0.869819  0.233706  0.591454  1
  Ti  Ti31  1  0.272290  0.038806  0.574067  1
  Ti  Ti32  1  0.988878  0.471980  0.595025  1
  Ti  Ti33  1  0.586280  0.666647  0.612315  1
  Ti  Ti34  1  0.303262  0.100562  0.633130  1
  Ti  Ti35  1  0.705442  0.905104  0.615677  1
  Ti  Ti36  1  0.422447  0.339085  0.636934  1
  Ti  Ti37  1  0.019674  0.533414  0.654118  1
  Ti  Ti38  1  0.736228  0.966480  0.674174  1
  Ti  Ti39  1  0.138524  0.771271  0.657716  1
  Ti  Ti40  1  0.855971  0.206079  0.678265  1
  Ti  Ti41  1  0.453529  0.401021  0.695432  1
  Ti  Ti42  1  0.171472  0.836955  0.715540  1
  Ti  Ti43  1  0.572334  0.638963  0.699122  1
  Ti  Ti44  1  0.289562  0.073253  0.718346  1
