# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21613599
_cell_length_b   3.21613599
_cell_length_c   50.67439975
_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   Ti14
_cell_volume   524.152211451
_cell_formula_units_Z   14
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  1.010566  0.010566  0.270742  1
  Ti  Ti2  1  0.510566  0.510566  0.302633  1
  Ti  Ti3  1  0.010566  0.010566  0.335035  1
  Ti  Ti4  1  0.510566  0.510566  0.368719  1
  Ti  Ti5  1  0.010566  0.010566  0.402320  1
  Ti  Ti6  1  0.510566  0.510566  0.435807  1
  Ti  Ti7  1  0.010566  0.010566  0.469305  1
  Ti  Ti8  1  0.510566  0.510566  0.502812  1
  Ti  Ti9  1  0.010566  0.010566  0.536310  1
  Ti  Ti10  1  0.510566  0.510566  0.569797  1
  Ti  Ti11  1  0.010566  0.010566  0.603398  1
  Ti  Ti12  1  0.510566  0.510566  0.637082  1
  Ti  Ti13  1  0.010566  0.010566  0.669484  1
  Ti  Ti14  1  0.510566  0.510566  0.701375  1
