# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11244185
_cell_length_b   5.56069799
_cell_length_c   46.70490688
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.43073185
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti30
_cell_volume   1178.47952593
_cell_formula_units_Z   30
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  0.881703  0.425431  0.282402  1
  Ti  Ti2  1  0.763361  0.875328  0.295546  1
  Ti  Ti3  1  0.333829  0.325955  0.309925  1
  Ti  Ti4  1  0.227619  0.788568  0.325433  1
  Ti  Ti5  1  0.792239  0.242232  0.340784  1
  Ti  Ti6  1  0.681329  0.695398  0.355175  1
  Ti  Ti7  1  0.245014  0.151502  0.370678  1
  Ti  Ti8  1  0.138175  0.607079  0.385899  1
  Ti  Ti9  1  0.700378  0.061045  0.401157  1
  Ti  Ti10  1  0.593260  0.516637  0.416247  1
  Ti  Ti11  1  0.155714  0.971837  0.431538  1
  Ti  Ti12  1  0.048443  0.426961  0.446708  1
  Ti  Ti13  1  0.610859  0.881892  0.461940  1
  Ti  Ti14  1  0.503657  0.337172  0.477116  1
  Ti  Ti15  1  0.066066  0.792217  0.492351  1
  Ti  Ti16  1  0.958788  0.247369  0.507532  1
  Ti  Ti17  1  0.521197  0.702414  0.522766  1
  Ti  Ti18  1  0.413995  0.157694  0.537943  1
  Ti  Ti19  1  0.976411  0.612625  0.553175  1
  Ti  Ti20  1  0.869140  0.067749  0.568345  1
  Ti  Ti21  1  0.431594  0.522949  0.583636  1
  Ti  Ti22  1  0.324476  0.978541  0.598726  1
  Ti  Ti23  1  0.886678  0.432507  0.613984  1
  Ti  Ti24  1  0.779840  0.888084  0.629205  1
  Ti  Ti25  1  0.343525  0.344188  0.644708  1
  Ti  Ti26  1  0.232615  0.797354  0.659099  1
  Ti  Ti27  1  0.797235  0.251018  0.674450  1
  Ti  Ti28  1  0.691025  0.713631  0.689958  1
  Ti  Ti29  1  0.261493  0.164258  0.704336  1
  Ti  Ti30  1  0.143150  0.614155  0.717481  1
