# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65790399
_cell_length_b   7.29080771
_cell_length_c   48.33396328
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti40
_cell_volume   1557.18366494
_cell_formula_units_Z   40
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  0.621573  0.340203  0.281319  1
  Ti  Ti2  1  0.839575  0.779324  0.299854  1
  Ti  Ti3  1  0.233883  0.566303  0.289436  1
  Ti  Ti4  1  0.446390  0.994432  0.311694  1
  Ti  Ti5  1  0.059766  0.222246  0.320674  1
  Ti  Ti6  1  0.279584  0.665522  0.346097  1
  Ti  Ti7  1  0.670871  0.446489  0.335679  1
  Ti  Ti8  1  0.890656  0.889068  0.356589  1
  Ti  Ti9  1  0.499037  0.107351  0.368302  1
  Ti  Ti10  1  0.720850  0.553763  0.391762  1
  Ti  Ti11  1  0.108992  0.328531  0.378951  1
  Ti  Ti12  1  0.330591  0.774715  0.402759  1
  Ti  Ti13  1  0.940321  0.995593  0.413832  1
  Ti  Ti14  1  0.160155  0.438067  0.436358  1
  Ti  Ti15  1  0.549982  0.216357  0.425272  1
  Ti  Ti16  1  0.770842  0.660898  0.448489  1
  Ti  Ti17  1  0.380907  0.882449  0.459670  1
  Ti  Ti18  1  0.600592  0.324641  0.482280  1
  Ti  Ti19  1  0.990813  0.103672  0.470917  1
  Ti  Ti20  1  0.210712  0.546267  0.493498  1
  Ti  Ti21  1  0.821314  0.768914  0.505421  1
  Ti  Ti22  1  0.041213  0.211509  0.528001  1
  Ti  Ti23  1  0.431434  0.990540  0.516639  1
  Ti  Ti24  1  0.651119  0.432733  0.539249  1
  Ti  Ti25  1  0.261184  0.654283  0.550429  1
  Ti  Ti26  1  0.482044  0.098825  0.573647  1
  Ti  Ti27  1  0.871871  0.877115  0.562561  1
  Ti  Ti28  1  0.091705  0.319588  0.585087  1
  Ti  Ti29  1  0.701435  0.540467  0.596160  1
  Ti  Ti30  1  0.923034  0.986650  0.619968  1
  Ti  Ti31  1  0.311176  0.761418  0.607157  1
  Ti  Ti32  1  0.532989  0.207831  0.630617  1
  Ti  Ti33  1  0.141370  0.426114  0.642330  1
  Ti  Ti34  1  0.361155  0.868693  0.663240  1
  Ti  Ti35  1  0.752442  0.649660  0.652822  1
  Ti  Ti36  1  0.972260  0.092936  0.678244  1
  Ti  Ti37  1  0.585636  0.320749  0.687225  1
  Ti  Ti38  1  0.798143  0.748878  0.709483  1
  Ti  Ti39  1  0.192451  0.535857  0.699065  1
  Ti  Ti40  1  0.410453  0.974979  0.717600  1
