# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99193305
_cell_length_b   10.55732834
_cell_length_c   52.80610613
_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   Ti42
_cell_volume   1667.97694735
_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  1.048825  0.126507  0.311174  1
  Ti  Ti2  1  0.048825  0.782695  0.277319  1
  Ti  Ti3  1  0.048825  0.514501  0.270489  1
  Ti  Ti4  1  0.548825  0.014501  0.270489  1
  Ti  Ti5  1  0.548825  0.626507  0.311174  1
  Ti  Ti6  1  0.548825  0.282695  0.277319  1
  Ti  Ti7  1  0.048825  0.012611  0.361755  1
  Ti  Ti8  1  0.048825  0.738751  0.352454  1
  Ti  Ti9  1  1.048825  0.398197  0.318510  1
  Ti  Ti10  1  0.548825  0.898197  0.318510  1
  Ti  Ti11  1  0.548825  0.512611  0.361755  1
  Ti  Ti12  1  0.548825  0.238751  0.352454  1
  Ti  Ti13  1  0.048825  0.938444  0.432592  1
  Ti  Ti14  1  0.048825  0.623167  0.405316  1
  Ti  Ti15  1  1.048825  0.343967  0.392987  1
  Ti  Ti16  1  0.548825  0.843967  0.392987  1
  Ti  Ti17  1  0.548825  0.438444  0.432592  1
  Ti  Ti18  1  0.548825  0.123167  0.405316  1
  Ti  Ti19  1  0.048825  0.824474  0.494289  1
  Ti  Ti20  1  1.048825  0.525182  0.472001  1
  Ti  Ti21  1  1.048825  0.225891  0.449713  1
  Ti  Ti22  1  0.548825  0.725891  0.449713  1
  Ti  Ti23  1  0.548825  0.324474  0.494289  1
  Ti  Ti24  1  0.548825  0.025182  0.472001  1
  Ti  Ti25  1  1.048825  0.706398  0.551015  1
  Ti  Ti26  1  1.048825  0.427197  0.538687  1
  Ti  Ti27  1  0.048825  0.111921  0.511410  1
  Ti  Ti28  1  0.548825  0.611921  0.511410  1
  Ti  Ti29  1  0.548825  0.206398  0.551015  1
  Ti  Ti30  1  0.548825  0.927197  0.538687  1
  Ti  Ti31  1  1.048825  0.652168  0.625492  1
  Ti  Ti32  1  0.048825  0.311614  0.591549  1
  Ti  Ti33  1  0.048825  0.037753  0.582247  1
  Ti  Ti34  1  0.548825  0.537753  0.582247  1
  Ti  Ti35  1  0.548825  0.152168  0.625492  1
  Ti  Ti36  1  0.548825  0.811614  0.591549  1
  Ti  Ti37  1  1.048825  0.535864  0.673514  1
  Ti  Ti38  1  1.048825  0.267670  0.666683  1
  Ti  Ti39  1  0.048825  0.923858  0.632828  1
  Ti  Ti40  1  0.548825  0.423858  0.632828  1
  Ti  Ti41  1  0.548825  0.035864  0.673514  1
  Ti  Ti42  1  0.548825  0.767670  0.666683  1
