# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95376857
_cell_length_b   14.43495450
_cell_length_c   45.50995517
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.88179677
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti48
_cell_volume   1930.2158434
_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  0.957993  0.911619  0.301573  1
  Ti  Ti2  1  0.119754  0.235142  0.318905  1
  Ti  Ti3  1  0.796612  0.588953  0.283454  1
  Ti  Ti4  1  0.533630  0.062901  0.328464  1
  Ti  Ti5  1  0.210635  0.417147  0.292283  1
  Ti  Ti6  1  0.372238  0.740156  0.310188  1
  Ti  Ti7  1  0.442443  0.880539  0.356007  1
  Ti  Ti8  1  0.603745  0.203133  0.374168  1
  Ti  Ti9  1  0.280847  0.557390  0.337671  1
  Ti  Ti10  1  0.017790  0.031248  0.383722  1
  Ti  Ti11  1  0.694884  0.385496  0.346975  1
  Ti  Ti12  1  0.856380  0.708449  0.365303  1
  Ti  Ti13  1  0.926503  0.848657  0.411646  1
  Ti  Ti14  1  0.087827  0.171300  0.430061  1
  Ti  Ti15  1  0.765057  0.525784  0.393247  1
  Ti  Ti16  1  0.501845  0.999357  0.439544  1
  Ti  Ti17  1  0.178923  0.353537  0.402509  1
  Ti  Ti18  1  0.340454  0.676588  0.421085  1
  Ti  Ti19  1  0.410584  0.816814  0.467339  1
  Ti  Ti20  1  0.571945  0.139532  0.485855  1
  Ti  Ti21  1  0.249135  0.493925  0.448857  1
  Ti  Ti22  1  0.985930  0.967523  0.495287  1
  Ti  Ti23  1  0.663096  0.321869  0.458230  1
  Ti  Ti24  1  0.824510  0.644691  0.476794  1
  Ti  Ti25  1  0.894659  0.784955  0.523044  1
  Ti  Ti26  1  0.056072  0.107777  0.541607  1
  Ti  Ti27  1  0.733239  0.462123  0.504551  1
  Ti  Ti28  1  0.470034  0.935721  0.550981  1
  Ti  Ti29  1  0.147223  0.290114  0.513983  1
  Ti  Ti30  1  0.308584  0.612832  0.532499  1
  Ti  Ti31  1  0.378715  0.753058  0.578753  1
  Ti  Ti32  1  0.540245  0.076108  0.597328  1
  Ti  Ti33  1  0.217324  0.430289  0.560294  1
  Ti  Ti34  1  0.954112  0.903862  0.606591  1
  Ti  Ti35  1  0.631341  0.258346  0.569777  1
  Ti  Ti36  1  0.792666  0.580989  0.588192  1
  Ti  Ti37  1  0.862788  0.721197  0.634534  1
  Ti  Ti38  1  0.024285  0.044150  0.652862  1
  Ti  Ti39  1  0.701379  0.398398  0.616115  1
  Ti  Ti40  1  0.438322  0.872255  0.662166  1
  Ti  Ti41  1  0.115424  0.226513  0.625670  1
  Ti  Ti42  1  0.276726  0.549107  0.643831  1
  Ti  Ti43  1  0.346931  0.689490  0.689649  1
  Ti  Ti44  1  0.508534  0.012499  0.707554  1
  Ti  Ti45  1  0.185538  0.366745  0.671374  1
  Ti  Ti46  1  0.922557  0.840692  0.716383  1
  Ti  Ti47  1  0.599415  0.194504  0.680933  1
  Ti  Ti48  1  0.761175  0.518027  0.698265  1
