# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32402282
_cell_length_b   7.31169968
_cell_length_c   48.41830669
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti64
_cell_volume   2540.46518046
_cell_formula_units_Z   64
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  0.501851  0.503371  0.299335  1
  Ti  Ti2  1  1.001851  1.003371  0.299335  1
  Ti  Ti3  1  0.876851  0.378371  0.318992  1
  Ti  Ti4  1  0.376851  0.878371  0.318992  1
  Ti  Ti5  1  0.751851  0.753371  0.299335  1
  Ti  Ti6  1  0.251851  0.253371  0.299335  1
  Ti  Ti7  1  0.126851  0.628371  0.318992  1
  Ti  Ti8  1  0.626851  0.128371  0.318992  1
  Ti  Ti9  1  0.376851  0.378371  0.353151  1
  Ti  Ti10  1  0.876851  0.878371  0.353151  1
  Ti  Ti11  1  0.751851  0.253371  0.373276  1
  Ti  Ti12  1  0.251851  0.753371  0.373276  1
  Ti  Ti13  1  0.626851  0.628371  0.353151  1
  Ti  Ti14  1  0.126851  0.128371  0.353151  1
  Ti  Ti15  1  1.001851  0.503371  0.373276  1
  Ti  Ti16  1  0.501851  1.003371  0.373276  1
  Ti  Ti17  1  0.251851  0.253371  0.407589  1
  Ti  Ti18  1  0.751851  0.753371  0.407589  1
  Ti  Ti19  1  0.626851  0.128371  0.427872  1
  Ti  Ti20  1  0.126851  0.628371  0.427872  1
  Ti  Ti21  1  0.501851  0.503371  0.407589  1
  Ti  Ti22  1  1.001851  1.003371  0.407589  1
  Ti  Ti23  1  0.876851  0.378371  0.427872  1
  Ti  Ti24  1  0.376851  0.878371  0.427872  1
  Ti  Ti25  1  0.126851  0.128371  0.462169  1
  Ti  Ti26  1  0.626851  0.628371  0.462169  1
  Ti  Ti27  1  0.501851  1.003371  0.482474  1
  Ti  Ti28  1  1.001851  0.503371  0.482474  1
  Ti  Ti29  1  0.376851  0.378371  0.462169  1
  Ti  Ti30  1  0.876851  0.878371  0.462169  1
  Ti  Ti31  1  0.751851  0.253371  0.482474  1
  Ti  Ti32  1  0.251851  0.753371  0.482474  1
  Ti  Ti33  1  1.001851  1.003371  0.516763  1
  Ti  Ti34  1  0.501851  0.503371  0.516763  1
  Ti  Ti35  1  0.376851  0.878371  0.537068  1
  Ti  Ti36  1  0.876851  0.378371  0.537068  1
  Ti  Ti37  1  0.251851  0.253371  0.516763  1
  Ti  Ti38  1  0.751851  0.753371  0.516763  1
  Ti  Ti39  1  0.626851  0.128371  0.537068  1
  Ti  Ti40  1  0.126851  0.628371  0.537068  1
  Ti  Ti41  1  0.876851  0.878371  0.571365  1
  Ti  Ti42  1  0.376851  0.378371  0.571365  1
  Ti  Ti43  1  0.251851  0.753371  0.591648  1
  Ti  Ti44  1  0.751851  0.253371  0.591648  1
  Ti  Ti45  1  0.126851  0.128371  0.571365  1
  Ti  Ti46  1  0.626851  0.628371  0.571365  1
  Ti  Ti47  1  0.501851  1.003371  0.591648  1
  Ti  Ti48  1  1.001851  0.503371  0.591648  1
  Ti  Ti49  1  0.751851  0.753371  0.625961  1
  Ti  Ti50  1  0.251851  0.253371  0.625961  1
  Ti  Ti51  1  0.126851  0.628371  0.646086  1
  Ti  Ti52  1  0.626851  0.128371  0.646086  1
  Ti  Ti53  1  1.001851  1.003371  0.625961  1
  Ti  Ti54  1  0.501851  0.503371  0.625961  1
  Ti  Ti55  1  0.376851  0.878371  0.646086  1
  Ti  Ti56  1  0.876851  0.378371  0.646086  1
  Ti  Ti57  1  0.626851  0.628371  0.680245  1
  Ti  Ti58  1  0.126851  0.128371  0.680245  1
  Ti  Ti59  1  1.001851  0.503371  0.699902  1
  Ti  Ti60  1  0.501851  1.003371  0.699902  1
  Ti  Ti61  1  0.876851  0.878371  0.680245  1
  Ti  Ti62  1  0.376851  0.378371  0.680245  1
  Ti  Ti63  1  0.251851  0.753371  0.699902  1
  Ti  Ti64  1  0.751851  0.253371  0.699902  1
