# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93583036
_cell_length_b   14.33282620
_cell_length_c   45.17405405
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.10443763
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti48
_cell_volume   1890.81344723
_cell_formula_units_Z   48
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  0.047842  0.909513  0.303455  1
  Ti  Ti2  1  0.884457  0.236245  0.320134  1
  Ti  Ti3  1  0.210180  0.585066  0.285146  1
  Ti  Ti4  1  0.471576  0.062051  0.329407  1
  Ti  Ti5  1  0.794877  0.416000  0.293913  1
  Ti  Ti6  1  0.633676  0.737969  0.310988  1
  Ti  Ti7  1  0.562866  0.879473  0.356437  1
  Ti  Ti8  1  0.401579  0.202017  0.374648  1
  Ti  Ti9  1  0.724602  0.556089  0.338196  1
  Ti  Ti10  1  0.987653  0.029934  0.384433  1
  Ti  Ti11  1  0.310227  0.384957  0.348095  1
  Ti  Ti12  1  0.149009  0.707286  0.365999  1
  Ti  Ti13  1  0.078857  0.847462  0.412293  1
  Ti  Ti14  1  0.917602  0.169949  0.430758  1
  Ti  Ti15  1  0.240155  0.524907  0.394072  1
  Ti  Ti16  1  0.503661  0.997902  0.440420  1
  Ti  Ti17  1  0.826546  0.352209  0.403532  1
  Ti  Ti18  1  0.664911  0.675438  0.422001  1
  Ti  Ti19  1  0.594856  0.815430  0.468191  1
  Ti  Ti20  1  0.433545  0.138034  0.486712  1
  Ti  Ti21  1  0.756299  0.492572  0.449782  1
  Ti  Ti22  1  0.019634  0.965925  0.496306  1
  Ti  Ti23  1  0.342464  0.320315  0.459313  1
  Ti  Ti24  1  0.181027  0.643168  0.477848  1
  Ti  Ti25  1  0.110917  0.783271  0.524050  1
  Ti  Ti26  1  0.949481  0.106123  0.542585  1
  Ti  Ti27  1  0.272310  0.460514  0.505592  1
  Ti  Ti28  1  0.535645  0.933867  0.552116  1
  Ti  Ti29  1  0.858400  0.288405  0.515186  1
  Ti  Ti30  1  0.697089  0.611009  0.533708  1
  Ti  Ti31  1  0.627034  0.751001  0.579897  1
  Ti  Ti32  1  0.465399  0.074230  0.598366  1
  Ti  Ti33  1  0.788284  0.428537  0.561478  1
  Ti  Ti34  1  0.051790  0.901532  0.607826  1
  Ti  Ti35  1  0.374342  0.256490  0.571140  1
  Ti  Ti36  1  0.213087  0.578977  0.589605  1
  Ti  Ti37  1  0.142936  0.719153  0.635899  1
  Ti  Ti38  1  0.981717  0.041482  0.653803  1
  Ti  Ti39  1  0.304291  0.396505  0.617465  1
  Ti  Ti40  1  0.567342  0.870350  0.663702  1
  Ti  Ti41  1  0.890366  0.224422  0.627250  1
  Ti  Ti42  1  0.729078  0.546966  0.645461  1
  Ti  Ti43  1  0.658269  0.688470  0.690910  1
  Ti  Ti44  1  0.497068  0.010438  0.707985  1
  Ti  Ti45  1  0.820368  0.364388  0.672492  1
  Ti  Ti46  1  0.081764  0.841373  0.716752  1
  Ti  Ti47  1  0.407488  0.190194  0.681764  1
  Ti  Ti48  1  0.244103  0.516926  0.698443  1
