# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61685593
_cell_length_b   7.24598538
_cell_length_c   47.84667737
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.56505118
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti40
_cell_volume   1518.50705943
_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  0.635195  0.563847  0.289988  1
  Ti  Ti2  1  0.422660  0.991851  0.312927  1
  Ti  Ti3  1  0.250261  0.333101  0.280512  1
  Ti  Ti4  1  0.028802  0.777835  0.300424  1
  Ti  Ti5  1  0.199576  0.443280  0.335760  1
  Ti  Ti6  1  0.979878  0.886882  0.357129  1
  Ti  Ti7  1  0.809449  0.219639  0.321040  1
  Ti  Ti8  1  0.591116  0.662639  0.346769  1
  Ti  Ti9  1  0.762450  0.326020  0.379412  1
  Ti  Ti10  1  0.542091  0.771974  0.403508  1
  Ti  Ti11  1  0.372251  0.104939  0.369247  1
  Ti  Ti12  1  0.151538  0.550593  0.392066  1
  Ti  Ti13  1  0.323123  0.214279  0.426053  1
  Ti  Ti14  1  0.102909  0.658835  0.448869  1
  Ti  Ti15  1  0.932143  0.993854  0.414341  1
  Ti  Ti16  1  0.713278  0.435818  0.436946  1
  Ti  Ti17  1  0.883457  0.102062  0.471467  1
  Ti  Ti18  1  0.664261  0.544744  0.494168  1
  Ti  Ti19  1  0.493302  0.880308  0.460327  1
  Ti  Ti20  1  0.273944  0.323280  0.482889  1
  Ti  Ti21  1  0.444256  0.989050  0.517166  1
  Ti  Ti22  1  0.224897  0.432022  0.539729  1
  Ti  Ti23  1  0.053939  0.767585  0.505887  1
  Ti  Ti24  1  0.834743  0.210267  0.528589  1
  Ti  Ti25  1  0.004921  0.876511  0.563110  1
  Ti  Ti26  1  0.786056  0.318475  0.585715  1
  Ti  Ti27  1  0.615290  0.653494  0.551186  1
  Ti  Ti28  1  0.395077  0.098050  0.574002  1
  Ti  Ti29  1  0.566662  0.761736  0.607989  1
  Ti  Ti30  1  0.345949  0.207391  0.630808  1
  Ti  Ti31  1  0.176109  0.540355  0.596548  1
  Ti  Ti32  1  0.955749  0.986310  0.620643  1
  Ti  Ti33  1  0.127083  0.649690  0.653286  1
  Ti  Ti34  1  0.908751  0.092691  0.679015  1
  Ti  Ti35  1  0.738322  0.425448  0.642927  1
  Ti  Ti36  1  0.518624  0.869050  0.664295  1
  Ti  Ti37  1  0.689398  0.534495  0.699632  1
  Ti  Ti38  1  0.467939  0.979228  0.719543  1
  Ti  Ti39  1  0.295539  0.320478  0.687128  1
  Ti  Ti40  1  0.083005  0.748482  0.710067  1
