# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64369598
_cell_length_b   10.96686341
_cell_length_c   49.87230982
_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   Ti66
_cell_volume   2539.83613069
_cell_formula_units_Z   66
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  0.498382  0.785358  0.278390  1
  Ti  Ti2  1  0.998382  0.176566  0.245493  1
  Ti  Ti3  1  0.498382  0.321056  0.252995  1
  Ti  Ti4  1  0.998382  0.910402  0.259014  1
  Ti  Ti5  1  0.998382  0.632131  0.271514  1
  Ti  Ti6  1  0.498382  0.059830  0.264782  1
  Ti  Ti7  1  0.498382  0.973585  0.319548  1
  Ti  Ti8  1  0.998382  0.363714  0.284631  1
  Ti  Ti9  1  0.498382  0.518501  0.292514  1
  Ti  Ti10  1  0.998382  0.096685  0.298360  1
  Ti  Ti11  1  0.998382  0.820723  0.311711  1
  Ti  Ti12  1  0.498382  0.246475  0.306321  1
  Ti  Ti13  1  0.498382  0.162163  0.362064  1
  Ti  Ti14  1  0.998382  0.553601  0.326000  1
  Ti  Ti15  1  0.498382  0.704963  0.333975  1
  Ti  Ti16  1  0.998382  0.283716  0.340416  1
  Ti  Ti17  1  0.998382  1.011186  0.353797  1
  Ti  Ti18  1  0.498382  0.434870  0.348118  1
  Ti  Ti19  1  0.498382  0.352132  0.404096  1
  Ti  Ti20  1  0.998382  0.742426  0.368096  1
  Ti  Ti21  1  0.498382  0.893679  0.376032  1
  Ti  Ti22  1  0.998382  0.472680  0.382279  1
  Ti  Ti23  1  0.998382  0.200780  0.396190  1
  Ti  Ti24  1  0.498382  0.623573  0.390147  1
  Ti  Ti25  1  0.498382  0.541743  0.446192  1
  Ti  Ti26  1  0.998382  0.931849  0.410123  1
  Ti  Ti27  1  0.498382  0.082343  0.418300  1
  Ti  Ti28  1  0.998382  0.661666  0.424274  1
  Ti  Ti29  1  0.998382  0.390679  0.438252  1
  Ti  Ti30  1  0.498382  0.812621  0.432179  1
  Ti  Ti31  1  0.498382  0.731313  0.488269  1
  Ti  Ti32  1  0.998382  0.120820  0.452382  1
  Ti  Ti33  1  0.498382  0.271894  0.460324  1
  Ti  Ti34  1  0.998382  0.850844  0.466268  1
  Ti  Ti35  1  0.998382  0.580239  0.480327  1
  Ti  Ti36  1  0.498382  1.001289  0.474383  1
  Ti  Ti37  1  0.498382  0.920284  0.530528  1
  Ti  Ti38  1  0.998382  0.310390  0.494458  1
  Ti  Ti39  1  0.498382  0.461455  0.502398  1
  Ti  Ti40  1  0.998382  0.039513  0.508472  1
  Ti  Ti41  1  0.998382  0.769791  0.522351  1
  Ti  Ti42  1  0.498382  0.190468  0.516377  1
  Ti  Ti43  1  0.498382  0.109707  0.572554  1
  Ti  Ti44  1  0.998382  0.500002  0.536554  1
  Ti  Ti45  1  0.498382  0.651353  0.544460  1
  Ti  Ti46  1  0.998382  0.228560  0.550503  1
  Ti  Ti47  1  0.998382  0.958455  0.564619  1
  Ti  Ti48  1  0.498382  0.379454  0.558371  1
  Ti  Ti49  1  0.498382  0.298533  0.614650  1
  Ti  Ti50  1  0.998382  0.689970  0.578587  1
  Ti  Ti51  1  0.498382  0.840947  0.586854  1
  Ti  Ti52  1  0.998382  0.417263  0.592532  1
  Ti  Ti53  1  0.998382  0.147170  0.606676  1
  Ti  Ti54  1  0.498382  0.568418  0.600234  1
  Ti  Ti55  1  0.498382  0.488420  0.656019  1
  Ti  Ti56  1  0.998382  0.878548  0.621103  1
  Ti  Ti57  1  0.498382  1.031411  0.628939  1
  Ti  Ti58  1  0.998382  0.605658  0.634330  1
  Ti  Ti59  1  0.998382  0.333633  0.648137  1
  Ti  Ti60  1  0.498382  0.755449  0.642291  1
  Ti  Ti61  1  0.498382  0.675567  0.695157  1
  Ti  Ti62  1  0.998382  0.066776  0.662261  1
  Ti  Ti63  1  0.498382  0.220003  0.669137  1
  Ti  Ti64  1  0.998382  0.792304  0.675868  1
  Ti  Ti65  1  0.998382  0.531077  0.687656  1
  Ti  Ti66  1  0.498382  0.941731  0.681637  1
