# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65048776
_cell_length_b   7.88208659
_cell_length_c   51.87804762
_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   Ti48
_cell_volume   1901.61822455
_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  0.497654  0.330782  0.271734  1
  Ti  Ti2  1  -0.002346  0.762801  0.260133  1
  Ti  Ti3  1  0.497654  0.968247  0.254845  1
  Ti  Ti4  1  -0.002346  0.471273  0.295137  1
  Ti  Ti5  1  -0.002346  0.114397  0.276610  1
  Ti  Ti6  1  0.497654  0.689114  0.289307  1
  Ti  Ti7  1  0.497654  0.403108  0.325818  1
  Ti  Ti8  1  -0.002346  0.831810  0.313215  1
  Ti  Ti9  1  0.497654  0.046459  0.307185  1
  Ti  Ti10  1  -0.002346  0.547646  0.350446  1
  Ti  Ti11  1  -0.002346  0.189475  0.331724  1
  Ti  Ti12  1  0.497654  0.760893  0.344524  1
  Ti  Ti13  1  0.497654  0.475313  0.381645  1
  Ti  Ti14  1  0.997654  0.905225  0.369044  1
  Ti  Ti15  1  0.497654  0.118056  0.363033  1
  Ti  Ti16  1  0.997654  0.619983  0.406205  1
  Ti  Ti17  1  -0.002346  0.262537  0.387575  1
  Ti  Ti18  1  0.497654  0.832656  0.400251  1
  Ti  Ti19  1  0.497654  0.547238  0.437407  1
  Ti  Ti20  1  -0.002346  0.977376  0.424791  1
  Ti  Ti21  1  0.497654  0.189935  0.418799  1
  Ti  Ti22  1  -0.002346  0.691997  0.461963  1
  Ti  Ti23  1  -0.002346  0.334646  0.443356  1
  Ti  Ti24  1  0.497654  0.904554  0.455988  1
  Ti  Ti25  1  0.497654  0.619211  0.493170  1
  Ti  Ti26  1  -0.002346  0.049303  0.480538  1
  Ti  Ti27  1  0.497654  0.261861  0.474563  1
  Ti  Ti28  1  0.997654  0.763923  0.517727  1
  Ti  Ti29  1  -0.002346  0.406619  0.499119  1
  Ti  Ti30  1  0.497654  0.976481  0.511735  1
  Ti  Ti31  1  0.497654  0.691320  0.548951  1
  Ti  Ti32  1  -0.002346  0.121201  0.536275  1
  Ti  Ti33  1  0.497654  0.333874  0.530321  1
  Ti  Ti34  1  -0.002346  0.835801  0.573493  1
  Ti  Ti35  1  0.997654  0.478544  0.554881  1
  Ti  Ti36  1  0.497654  0.048632  0.567482  1
  Ti  Ti37  1  0.497654  0.764383  0.604802  1
  Ti  Ti38  1  0.997654  0.192964  0.592002  1
  Ti  Ti39  1  0.497654  0.406212  0.586080  1
  Ti  Ti40  1  0.997654  0.907398  0.629341  1
  Ti  Ti41  1  0.997654  0.550749  0.610708  1
  Ti  Ti42  1  0.497654  0.122047  0.623311  1
  Ti  Ti43  1  0.497654  0.839461  0.659916  1
  Ti  Ti44  1  0.997654  0.264743  0.647219  1
  Ti  Ti45  1  0.497654  0.482585  0.641389  1
  Ti  Ti46  1  0.997654  0.985610  0.681681  1
  Ti  Ti47  1  0.997654  0.623075  0.664792  1
  Ti  Ti48  1  0.497654  0.191056  0.676393  1
