# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99935084
_cell_length_b   9.05671403
_cell_length_c   59.64273406
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.04059877
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti54
_cell_volume   2095.77655912
_cell_formula_units_Z   54
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  0.895887  0.162817  0.177060  1
  Ti  Ti2  1  1.040204  0.462090  0.198761  1
  Ti  Ti3  1  0.187464  0.753675  0.225464  1
  Ti  Ti4  1  0.954230  0.285548  0.242204  1
  Ti  Ti5  1  0.658414  0.699285  0.191459  1
  Ti  Ti6  1  0.806076  0.989038  0.217603  1
  Ti  Ti7  1  0.426221  0.227962  0.208788  1
  Ti  Ti8  1  0.570380  0.520164  0.233508  1
  Ti  Ti9  1  0.276637  0.932433  0.183808  1
  Ti  Ti10  1  0.336161  0.048675  0.251090  1
  Ti  Ti11  1  0.482665  0.342377  0.276429  1
  Ti  Ti12  1  0.629338  0.635259  0.302236  1
  Ti  Ti13  1  0.394281  0.164652  0.319283  1
  Ti  Ti14  1  1.099751  0.577148  0.267947  1
  Ti  Ti15  1  0.247272  0.870904  0.293726  1
  Ti  Ti16  1  0.865157  0.106799  0.285093  1
  Ti  Ti17  1  1.011705  0.399960  0.310727  1
  Ti  Ti18  1  0.717511  0.812086  0.259604  1
  Ti  Ti19  1  0.776565  0.929063  0.327880  1
  Ti  Ti20  1  0.923498  0.222545  0.353525  1
  Ti  Ti21  1  1.070476  0.516048  0.379200  1
  Ti  Ti22  1  0.835192  0.045068  0.396301  1
  Ti  Ti23  1  0.541097  0.457951  0.344982  1
  Ti  Ti24  1  0.688228  0.751521  0.370650  1
  Ti  Ti25  1  0.305844  0.987042  0.362081  1
  Ti  Ti26  1  0.452870  0.280558  0.387752  1
  Ti  Ti27  1  0.158770  0.693370  0.336436  1
  Ti  Ti28  1  0.217606  0.809659  0.404875  1
  Ti  Ti29  1  0.364569  0.103199  0.430527  1
  Ti  Ti30  1  0.511705  0.396785  0.456193  1
  Ti  Ti31  1  0.276234  0.925667  0.473296  1
  Ti  Ti32  1  0.982314  0.338677  0.421976  1
  Ti  Ti33  1  0.129290  0.632181  0.447651  1
  Ti  Ti34  1  0.746961  0.867689  0.439096  1
  Ti  Ti35  1  0.894021  0.161351  0.464741  1
  Ti  Ti36  1  0.599923  0.574163  0.413424  1
  Ti  Ti37  1  0.658509  0.690066  0.481892  1
  Ti  Ti38  1  0.805527  0.983822  0.507450  1
  Ti  Ti39  1  0.953039  0.277569  0.533228  1
  Ti  Ti40  1  0.716628  0.806046  0.550084  1
  Ti  Ti41  1  0.423450  0.219462  0.498939  1
  Ti  Ti42  1  0.570124  0.512339  0.524746  1
  Ti  Ti43  1  0.187623  0.747917  0.516082  1
  Ti  Ti44  1  0.335267  0.042628  0.541571  1
  Ti  Ti45  1  1.041088  0.454769  0.490448  1
  Ti  Ti46  1  1.098560  0.569165  0.558969  1
  Ti  Ti47  1  0.246716  0.865690  0.583572  1
  Ti  Ti48  1  0.394372  0.155446  0.609715  1
  Ti  Ti49  1  0.156909  0.691916  0.624115  1
  Ti  Ti50  1  0.865321  0.101042  0.575711  1
  Ti  Ti51  1  1.012595  0.392649  0.602413  1
  Ti  Ti52  1  0.626564  0.626761  0.592386  1
  Ti  Ti53  1  0.776157  0.922300  0.617365  1
  Ti  Ti54  1  0.482411  0.334559  0.567666  1
