# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92259273
_cell_length_b   4.75002278
_cell_length_c   45.80282795
_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   Ti16
_cell_volume   635.852356919
_cell_formula_units_Z   16
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  1.003069  0.252332  0.296959  1
  Ti  Ti2  1  0.503069  0.752332  0.314282  1
  Ti  Ti3  1  0.503069  0.252332  0.351591  1
  Ti  Ti4  1  1.003069  0.752332  0.369972  1
  Ti  Ti5  1  1.003069  0.252332  0.407145  1
  Ti  Ti6  1  0.503069  0.752332  0.425957  1
  Ti  Ti7  1  0.503069  0.252332  0.462972  1
  Ti  Ti8  1  1.003069  0.752332  0.481905  1
  Ti  Ti9  1  1.003069  0.252332  0.518872  1
  Ti  Ti10  1  0.503069  0.752332  0.537804  1
  Ti  Ti11  1  0.503069  0.252332  0.574820  1
  Ti  Ti12  1  1.003069  0.752332  0.593631  1
  Ti  Ti13  1  1.003069  0.252332  0.630804  1
  Ti  Ti14  1  0.503069  0.752332  0.649185  1
  Ti  Ti15  1  0.503069  0.252332  0.686494  1
  Ti  Ti16  1  1.003069  0.752332  0.703817  1
