# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68768880
_cell_length_b   2.82093457
_cell_length_c   48.92101971
_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   Ti15
_cell_volume   646.915095984
_cell_formula_units_Z   15
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  0.168943  1.001368  0.309272  1
  Ti  Ti2  1  0.168943  0.501368  0.361404  1
  Ti  Ti3  1  0.668943  0.501368  0.330829  1
  Ti  Ti4  1  0.668943  1.001368  0.387905  1
  Ti  Ti5  1  0.668943  0.501368  0.444305  1
  Ti  Ti6  1  0.168943  0.501368  0.416648  1
  Ti  Ti7  1  0.168943  1.001368  0.472290  1
  Ti  Ti8  1  0.168943  0.501368  0.528044  1
  Ti  Ti9  1  0.668943  0.501368  0.499976  1
  Ti  Ti10  1  0.668943  1.001368  0.555809  1
  Ti  Ti11  1  0.668943  0.501368  0.611591  1
  Ti  Ti12  1  0.168943  0.501368  0.583677  1
  Ti  Ti13  1  0.168943  1.001368  0.639481  1
  Ti  Ti14  1  0.168943  0.501368  0.694357  1
  Ti  Ti15  1  0.668943  0.501368  0.666971  1
