# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45408230
_cell_length_b   5.28615320
_cell_length_c   48.40208366
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   115.14616262
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti27
_cell_volume   1031.61918814
_cell_formula_units_Z   27
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  0.127170  0.204854  0.263389  1
  Ti  Ti2  1  0.827561  0.605166  0.278657  1
  Ti  Ti3  1  0.534206  0.019176  0.295190  1
  Ti  Ti4  1  0.254042  0.459157  0.314386  1
  Ti  Ti5  1  0.967628  0.886717  0.330317  1
  Ti  Ti6  1  0.680306  0.312402  0.347081  1
  Ti  Ti7  1  0.396707  0.745775  0.364965  1
  Ti  Ti8  1  0.110080  0.172787  0.381719  1
  Ti  Ti9  1  0.823220  0.599493  0.398807  1
  Ti  Ti10  1  0.537850  0.029154  0.416238  1
  Ti  Ti11  1  0.251402  0.456636  0.433259  1
  Ti  Ti12  1  0.964992  0.884195  0.450385  1
  Ti  Ti13  1  0.679182  0.312985  0.467668  1
  Ti  Ti14  1  0.392859  0.740719  0.484774  1
  Ti  Ti15  1  0.106536  0.168452  0.501881  1
  Ti  Ti16  1  0.820726  0.597242  0.519163  1
  Ti  Ti17  1  0.534316  0.024801  0.536290  1
  Ti  Ti18  1  0.247869  0.452283  0.553311  1
  Ti  Ti19  1  0.962498  0.881945  0.570742  1
  Ti  Ti20  1  0.675638  0.308650  0.587830  1
  Ti  Ti21  1  0.389011  0.735662  0.604584  1
  Ti  Ti22  1  0.105412  0.169036  0.622468  1
  Ti  Ti23  1  0.818091  0.594720  0.639232  1
  Ti  Ti24  1  0.531676  0.022280  0.655163  1
  Ti  Ti25  1  0.251512  0.462261  0.674359  1
  Ti  Ti26  1  0.958157  0.876271  0.690892  1
  Ti  Ti27  1  0.658549  0.276583  0.706160  1
