# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14043575
_cell_length_b   5.89216595
_cell_length_c   47.25353762
_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   Ti28
_cell_volume   1152.80366181
_cell_formula_units_Z   28
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  1.003889  0.125750  0.297329  1
  Ti  Ti2  1  0.503889  0.375750  0.327310  1
  Ti  Ti3  1  0.503889  0.875750  0.327310  1
  Ti  Ti4  1  1.003889  0.625750  0.297329  1
  Ti  Ti5  1  1.003889  0.625750  0.358448  1
  Ti  Ti6  1  0.503889  0.875750  0.389759  1
  Ti  Ti7  1  0.503889  0.375750  0.389759  1
  Ti  Ti8  1  1.003889  0.125750  0.358448  1
  Ti  Ti9  1  1.003889  0.125750  0.421143  1
  Ti  Ti10  1  0.503889  0.375750  0.452486  1
  Ti  Ti11  1  0.503889  0.875750  0.452486  1
  Ti  Ti12  1  1.003889  0.625750  0.421143  1
  Ti  Ti13  1  1.003889  0.625750  0.483843  1
  Ti  Ti14  1  0.503889  0.875750  0.515194  1
  Ti  Ti15  1  0.503889  0.375750  0.515194  1
  Ti  Ti16  1  1.003889  0.125750  0.483843  1
  Ti  Ti17  1  1.003889  0.125750  0.546551  1
  Ti  Ti18  1  0.503889  0.375750  0.577894  1
  Ti  Ti19  1  0.503889  0.875750  0.577894  1
  Ti  Ti20  1  1.003889  0.625750  0.546551  1
  Ti  Ti21  1  1.003889  0.625750  0.609278  1
  Ti  Ti22  1  0.503889  0.875750  0.640588  1
  Ti  Ti23  1  0.503889  0.375750  0.640588  1
  Ti  Ti24  1  1.003889  0.125750  0.609278  1
  Ti  Ti25  1  1.003889  0.125750  0.671727  1
  Ti  Ti26  1  0.503889  0.375750  0.701708  1
  Ti  Ti27  1  0.503889  0.875750  0.701708  1
  Ti  Ti28  1  1.003889  0.625750  0.671727  1
