# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65359255
_cell_length_b   7.15895458
_cell_length_c   49.17433204
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.29080215
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti42
_cell_volume   1555.46543262
_cell_formula_units_Z   42
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  0.132548  0.661871  0.278240  1
  Ti  Ti2  1  0.314798  1.005606  0.309869  1
  Ti  Ti3  1  0.108658  0.557531  0.332245  1
  Ti  Ti4  1  0.916202  0.219351  0.297661  1
  Ti  Ti5  1  0.706971  0.778856  0.317777  1
  Ti  Ti6  1  0.518823  0.431875  0.287163  1
  Ti  Ti7  1  0.507564  0.339501  0.342737  1
  Ti  Ti8  1  0.699908  0.679248  0.374892  1
  Ti  Ti9  1  0.497160  0.236545  0.398307  1
  Ti  Ti10  1  0.303426  0.899168  0.364933  1
  Ti  Ti11  1  0.098462  0.456443  0.387272  1
  Ti  Ti12  1  0.902903  0.116241  0.353107  1
  Ti  Ti13  1  0.894635  1.015731  0.409055  1
  Ti  Ti14  1  0.089386  0.354919  0.442753  1
  Ti  Ti15  1  0.885669  0.913901  0.464917  1
  Ti  Ti16  1  0.691190  0.576165  0.431173  1
  Ti  Ti17  1  0.487943  0.134756  0.453951  1
  Ti  Ti18  1  0.293731  0.796441  0.420526  1
  Ti  Ti19  1  0.284224  0.694054  0.476165  1
  Ti  Ti20  1  0.478779  0.032808  0.509610  1
  Ti  Ti21  1  0.274768  0.591724  0.531816  1
  Ti  Ti22  1  0.080213  0.252970  0.498371  1
  Ti  Ti23  1  0.876709  0.811881  0.520807  1
  Ti  Ti24  1  0.682283  0.473897  0.487173  1
  Ti  Ti25  1  0.673323  0.371877  0.543064  1
  Ti  Ti26  1  0.867802  0.709613  0.576807  1
  Ti  Ti27  1  0.664357  0.270047  0.598925  1
  Ti  Ti28  1  0.469606  0.930859  0.565227  1
  Ti  Ti29  1  0.265261  0.489337  0.587454  1
  Ti  Ti30  1  0.071049  0.151022  0.554029  1
  Ti  Ti31  1  0.061832  0.049233  0.609673  1
  Ti  Ti32  1  0.255566  0.386610  0.643048  1
  Ti  Ti33  1  0.051428  0.946277  0.665244  1
  Ti  Ti34  1  0.859084  0.606530  0.633088  1
  Ti  Ti35  1  0.656089  0.169537  0.654874  1
  Ti  Ti36  1  0.460529  0.829335  0.620708  1
  Ti  Ti37  1  0.450334  0.728247  0.675735  1
  Ti  Ti38  1  0.642790  0.066427  0.710319  1
  Ti  Ti39  1  0.426444  0.623907  0.729741  1
  Ti  Ti40  1  0.244194  0.280172  0.698111  1
  Ti  Ti41  1  0.040169  0.853903  0.720817  1
  Ti  Ti42  1  0.852021  0.506922  0.690203  1
