# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32060492
_cell_length_b   7.31829650
_cell_length_c   48.07252643
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti64
_cell_volume   2523.41996047
_cell_formula_units_Z   64
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  0.559345  0.559911  0.300904  1
  Ti  Ti2  1  0.059345  0.059911  0.300904  1
  Ti  Ti3  1  0.936247  0.436814  0.319887  1
  Ti  Ti4  1  0.436247  0.936814  0.319887  1
  Ti  Ti5  1  0.809345  0.809911  0.300904  1
  Ti  Ti6  1  0.309345  0.309911  0.300904  1
  Ti  Ti7  1  0.186247  0.686814  0.319887  1
  Ti  Ti8  1  0.686247  0.186814  0.319887  1
  Ti  Ti9  1  0.430813  0.431375  0.353040  1
  Ti  Ti10  1  0.930813  0.931375  0.353040  1
  Ti  Ti11  1  0.810046  0.310608  0.373802  1
  Ti  Ti12  1  0.310046  0.810608  0.373802  1
  Ti  Ti13  1  0.680813  0.681375  0.353040  1
  Ti  Ti14  1  0.180813  0.181375  0.353040  1
  Ti  Ti15  1  0.060046  0.560608  0.373802  1
  Ti  Ti16  1  0.560046  0.060608  0.373802  1
  Ti  Ti17  1  0.283957  0.284497  0.408288  1
  Ti  Ti18  1  0.783957  0.784497  0.408288  1
  Ti  Ti19  1  0.666181  0.166722  0.429438  1
  Ti  Ti20  1  0.166181  0.666722  0.429438  1
  Ti  Ti21  1  0.533957  0.534497  0.408288  1
  Ti  Ti22  1  0.033957  0.034497  0.408288  1
  Ti  Ti23  1  0.916181  0.416722  0.429438  1
  Ti  Ti24  1  0.416181  0.916722  0.429438  1
  Ti  Ti25  1  0.134632  0.135148  0.463618  1
  Ti  Ti26  1  0.634632  0.635148  0.463618  1
  Ti  Ti27  1  0.517724  0.018239  0.484957  1
  Ti  Ti28  1  0.017724  0.518239  0.484957  1
  Ti  Ti29  1  0.384632  0.385148  0.463618  1
  Ti  Ti30  1  0.884632  0.885148  0.463618  1
  Ti  Ti31  1  0.767724  0.268239  0.484957  1
  Ti  Ti32  1  0.267724  0.768239  0.484957  1
  Ti  Ti33  1  0.984711  0.985200  0.519071  1
  Ti  Ti34  1  0.484711  0.485200  0.519071  1
  Ti  Ti35  1  0.367803  0.868291  0.540410  1
  Ti  Ti36  1  0.867803  0.368291  0.540410  1
  Ti  Ti37  1  0.234711  0.235200  0.519071  1
  Ti  Ti38  1  0.734711  0.735200  0.519071  1
  Ti  Ti39  1  0.617803  0.118291  0.540410  1
  Ti  Ti40  1  0.117803  0.618291  0.540410  1
  Ti  Ti41  1  0.836254  0.836717  0.574590  1
  Ti  Ti42  1  0.336254  0.336717  0.574590  1
  Ti  Ti43  1  0.218478  0.718941  0.595740  1
  Ti  Ti44  1  0.718478  0.218941  0.595740  1
  Ti  Ti45  1  0.086254  0.086717  0.574590  1
  Ti  Ti46  1  0.586254  0.586717  0.574590  1
  Ti  Ti47  1  0.468478  0.968941  0.595740  1
  Ti  Ti48  1  0.968478  0.468941  0.595740  1
  Ti  Ti49  1  0.692389  0.692831  0.630226  1
  Ti  Ti50  1  0.192389  0.192831  0.630226  1
  Ti  Ti51  1  0.071621  0.572064  0.650988  1
  Ti  Ti52  1  0.571621  0.072064  0.650988  1
  Ti  Ti53  1  0.942389  0.942831  0.630226  1
  Ti  Ti54  1  0.442389  0.442831  0.630226  1
  Ti  Ti55  1  0.321621  0.822064  0.650988  1
  Ti  Ti56  1  0.821621  0.322064  0.650988  1
  Ti  Ti57  1  0.566188  0.566625  0.684141  1
  Ti  Ti58  1  0.066188  0.066625  0.684141  1
  Ti  Ti59  1  0.943090  0.443528  0.703124  1
  Ti  Ti60  1  0.443090  0.943528  0.703124  1
  Ti  Ti61  1  0.816188  0.816625  0.684141  1
  Ti  Ti62  1  0.316188  0.316625  0.684141  1
  Ti  Ti63  1  0.193090  0.693528  0.703124  1
  Ti  Ti64  1  0.693090  0.193528  0.703124  1
