# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11886693
_cell_length_b   5.55644817
_cell_length_c   45.20608339
_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   Ti32
_cell_volume   1285.78391719
_cell_formula_units_Z   32
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  0.332428  0.125850  0.318806  1
  Ti  Ti2  1  0.832706  0.260330  0.293168  1
  Ti  Ti3  1  0.171368  0.625850  0.318806  1
  Ti  Ti4  1  0.671090  0.760330  0.293168  1
  Ti  Ti5  1  0.334447  0.842082  0.374405  1
  Ti  Ti6  1  0.833838  0.982068  0.347284  1
  Ti  Ti7  1  0.169349  0.342082  0.374405  1
  Ti  Ti8  1  0.669958  0.482068  0.347284  1
  Ti  Ti9  1  0.334715  0.558972  0.430347  1
  Ti  Ti10  1  0.835098  0.699874  0.402670  1
  Ti  Ti11  1  0.169082  0.058972  0.430347  1
  Ti  Ti12  1  0.668698  0.199874  0.402670  1
  Ti  Ti13  1  0.334751  0.275982  0.486147  1
  Ti  Ti14  1  0.834805  0.417210  0.458347  1
  Ti  Ti15  1  0.169045  0.775982  0.486147  1
  Ti  Ti16  1  0.668991  0.917210  0.458347  1
  Ti  Ti17  1  0.334805  0.993138  0.541895  1
  Ti  Ti18  1  0.834751  0.134366  0.514095  1
  Ti  Ti19  1  0.168991  0.493138  0.541895  1
  Ti  Ti20  1  0.669045  0.634366  0.514095  1
  Ti  Ti21  1  0.335098  0.710474  0.597572  1
  Ti  Ti22  1  0.834715  0.851376  0.569895  1
  Ti  Ti23  1  0.168698  0.210474  0.597572  1
  Ti  Ti24  1  0.669082  0.351376  0.569895  1
  Ti  Ti25  1  0.333838  0.428280  0.652958  1
  Ti  Ti26  1  0.834447  0.568266  0.625837  1
  Ti  Ti27  1  0.169958  0.928280  0.652958  1
  Ti  Ti28  1  0.669349  0.068266  0.625837  1
  Ti  Ti29  1  0.332706  0.150018  0.707074  1
  Ti  Ti30  1  0.832428  0.284498  0.681436  1
  Ti  Ti31  1  0.171090  0.650018  0.707074  1
  Ti  Ti32  1  0.671368  0.784498  0.681436  1
