# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90807565
_cell_length_b   6.94846245
_cell_length_c   48.93878447
_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   Ti24
_cell_volume   988.889107403
_cell_formula_units_Z   24
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  0.005581  0.638960  0.348810  1
  Ti  Ti2  1  0.505581  0.908125  0.312686  1
  Ti  Ti3  1  0.505581  0.311790  0.324783  1
  Ti  Ti4  1  0.005581  0.581965  0.291588  1
  Ti  Ti5  1  0.005581  0.104510  0.420271  1
  Ti  Ti6  1  0.505581  0.371119  0.384265  1
  Ti  Ti7  1  0.505581  0.780071  0.396751  1
  Ti  Ti8  1  0.005581  0.046358  0.360942  1
  Ti  Ti9  1  0.005581  0.570276  0.491970  1
  Ti  Ti10  1  0.505581  0.837247  0.456141  1
  Ti  Ti11  1  0.505581  0.246102  0.468375  1
  Ti  Ti12  1  0.005581  0.512874  0.432469  1
  Ti  Ti13  1  0.005581  0.036572  0.563743  1
  Ti  Ti14  1  0.505581  0.303343  0.527837  1
  Ti  Ti15  1  0.505581  0.712198  0.540071  1
  Ti  Ti16  1  0.005581  0.979169  0.504242  1
  Ti  Ti17  1  0.005581  0.503087  0.635270  1
  Ti  Ti18  1  0.505581  0.769374  0.599460  1
  Ti  Ti19  1  0.505581  0.178326  0.611946  1
  Ti  Ti20  1  0.005581  0.444936  0.575941  1
  Ti  Ti21  1  0.005581  0.967481  0.704624  1
  Ti  Ti22  1  0.505581  0.237655  0.671429  1
  Ti  Ti23  1  0.505581  0.641320  0.683526  1
  Ti  Ti24  1  0.005581  0.910485  0.647402  1
