# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90565252
_cell_length_b   9.81353650
_cell_length_c   49.52835319
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.36360369
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti36
_cell_volume   1396.27381454
_cell_formula_units_Z   36
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  0.899745  0.718073  0.295436  1
  Ti  Ti2  1  0.667329  0.182150  0.318725  1
  Ti  Ti3  1  0.765968  0.987374  0.277905  1
  Ti  Ti4  1  0.529775  0.460458  0.301050  1
  Ti  Ti5  1  0.435443  0.646047  0.344362  1
  Ti  Ti6  1  0.201963  0.112500  0.369235  1
  Ti  Ti7  1  0.297209  0.923762  0.325500  1
  Ti  Ti8  1  0.064465  0.389344  0.349747  1
  Ti  Ti9  1  0.969913  0.576356  0.394869  1
  Ti  Ti10  1  0.736998  0.041829  0.419852  1
  Ti  Ti11  1  0.831770  0.854031  0.375052  1
  Ti  Ti12  1  0.598944  0.319412  0.399860  1
  Ti  Ti13  1  0.504532  0.506583  0.445146  1
  Ti  Ti14  1  0.271700  0.971949  0.470184  1
  Ti  Ti15  1  0.366197  0.784515  0.425094  1
  Ti  Ti16  1  0.133400  0.249799  0.450052  1
  Ti  Ti17  1  0.039106  0.436929  0.495376  1
  Ti  Ti18  1  0.806310  0.902231  0.520406  1
  Ti  Ti19  1  0.900732  0.714881  0.475235  1
  Ti  Ti20  1  0.667936  0.180183  0.500264  1
  Ti  Ti21  1  0.573641  0.367313  0.545588  1
  Ti  Ti22  1  0.340845  0.832597  0.570546  1
  Ti  Ti23  1  0.435341  0.645163  0.525456  1
  Ti  Ti24  1  0.202510  0.110529  0.550494  1
  Ti  Ti25  1  0.108098  0.297700  0.595780  1
  Ti  Ti26  1  0.875272  0.763081  0.620588  1
  Ti  Ti27  1  0.970044  0.575283  0.575788  1
  Ti  Ti28  1  0.737129  0.040756  0.600771  1
  Ti  Ti29  1  0.642576  0.227768  0.645893  1
  Ti  Ti30  1  0.409833  0.693351  0.670140  1
  Ti  Ti31  1  0.505079  0.504612  0.626405  1
  Ti  Ti32  1  0.271598  0.971065  0.651278  1
  Ti  Ti33  1  0.177267  0.156654  0.694590  1
  Ti  Ti34  1  0.941074  0.629738  0.717735  1
  Ti  Ti35  1  0.039713  0.434962  0.676915  1
  Ti  Ti36  1  0.807296  0.899039  0.700204  1
