# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95898374
_cell_length_b   4.70823068
_cell_length_c   46.22460195
_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   643.981649393
_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  1.001287  0.251507  0.297315  1
  Ti  Ti2  1  0.501287  0.751507  0.314985  1
  Ti  Ti3  1  0.501287  0.251507  0.351714  1
  Ti  Ti4  1  1.001287  0.751507  0.370157  1
  Ti  Ti5  1  1.001287  0.251507  0.407345  1
  Ti  Ti6  1  0.501287  0.751507  0.425954  1
  Ti  Ti7  1  0.501287  0.251507  0.463032  1
  Ti  Ti8  1  1.001287  0.751507  0.481687  1
  Ti  Ti9  1  1.001287  0.251507  0.518747  1
  Ti  Ti10  1  0.501287  0.751507  0.537403  1
  Ti  Ti11  1  0.501287  0.251507  0.574480  1
  Ti  Ti12  1  1.001287  0.751507  0.593090  1
  Ti  Ti13  1  1.001287  0.251507  0.630278  1
  Ti  Ti14  1  0.501287  0.751507  0.648720  1
  Ti  Ti15  1  0.501287  0.251507  0.685450  1
  Ti  Ti16  1  1.001287  0.751507  0.703120  1
