# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66552846
_cell_length_b   12.78007096
_cell_length_c   47.52488491
_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   Ti72
_cell_volume   2833.70855759
_cell_formula_units_Z   72
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  0.752213  0.565984  0.309791  1
  Ti  Ti2  1  0.752213  0.356401  0.287413  1
  Ti  Ti3  1  0.752213  0.962452  0.299532  1
  Ti  Ti4  1  0.252213  0.701251  0.306693  1
  Ti  Ti5  1  0.252213  0.485196  0.283867  1
  Ti  Ti6  1  0.252213  0.095980  0.295416  1
  Ti  Ti7  1  0.752213  0.383105  0.346470  1
  Ti  Ti8  1  0.752213  0.169767  0.322422  1
  Ti  Ti9  1  0.752213  0.776310  0.334675  1
  Ti  Ti10  1  0.252213  0.517678  0.342164  1
  Ti  Ti11  1  0.252213  0.306345  0.318468  1
  Ti  Ti12  1  0.252213  0.913364  0.330301  1
  Ti  Ti13  1  0.752213  0.199349  0.383885  1
  Ti  Ti14  1  0.752213  0.987638  0.358983  1
  Ti  Ti15  1  0.752213  0.594000  0.371244  1
  Ti  Ti16  1  0.252213  0.332937  0.379713  1
  Ti  Ti17  1  0.252213  0.121673  0.354872  1
  Ti  Ti18  1  0.252213  0.728034  0.366935  1
  Ti  Ti19  1  0.752213  0.015388  0.421116  1
  Ti  Ti20  1  0.752213  0.804461  0.396335  1
  Ti  Ti21  1  0.752213  0.410296  0.408676  1
  Ti  Ti22  1  0.252213  0.148562  0.416917  1
  Ti  Ti23  1  0.252213  0.937825  0.392119  1
  Ti  Ti24  1  0.252213  0.543673  0.404331  1
  Ti  Ti25  1  0.752213  0.831305  0.458341  1
  Ti  Ti26  1  0.752213  0.620640  0.433496  1
  Ti  Ti27  1  0.752213  0.226181  0.445924  1
  Ti  Ti28  1  0.252213  0.964356  0.454119  1
  Ti  Ti29  1  0.252213  0.753784  0.429265  1
  Ti  Ti30  1  0.252213  0.359308  0.441672  1
  Ti  Ti31  1  0.752213  0.647199  0.495556  1
  Ti  Ti32  1  0.752213  0.436690  0.470755  1
  Ti  Ti33  1  0.752213  0.041995  0.483145  1
  Ti  Ti34  1  0.252213  0.780217  0.491313  1
  Ti  Ti35  1  0.252213  0.569714  0.466467  1
  Ti  Ti36  1  0.252213  0.175031  0.478910  1
  Ti  Ti37  1  0.752213  0.463100  0.532813  1
  Ti  Ti38  1  0.752213  0.252597  0.507967  1
  Ti  Ti39  1  0.752213  0.857782  0.520370  1
  Ti  Ti40  1  0.252213  0.596124  0.528525  1
  Ti  Ti41  1  0.252213  0.385614  0.503723  1
  Ti  Ti42  1  0.252213  0.990819  0.516135  1
  Ti  Ti43  1  0.752213  0.279029  0.570015  1
  Ti  Ti44  1  0.752213  0.068457  0.545161  1
  Ti  Ti45  1  0.752213  0.673505  0.557608  1
  Ti  Ti46  1  0.252213  0.412174  0.565784  1
  Ti  Ti47  1  0.252213  0.201509  0.540939  1
  Ti  Ti48  1  0.252213  0.806632  0.553356  1
  Ti  Ti49  1  0.752213  0.094989  0.607161  1
  Ti  Ti50  1  0.752213  0.884251  0.582363  1
  Ti  Ti51  1  0.752213  0.489141  0.594949  1
  Ti  Ti52  1  0.252213  0.228353  0.602945  1
  Ti  Ti53  1  0.252213  0.017426  0.578164  1
  Ti  Ti54  1  0.252213  0.622517  0.590604  1
  Ti  Ti55  1  0.752213  0.911141  0.644408  1
  Ti  Ti56  1  0.752213  0.699877  0.619567  1
  Ti  Ti57  1  0.752213  0.304779  0.632345  1
  Ti  Ti58  1  0.252213  0.045176  0.640297  1
  Ti  Ti59  1  0.252213  0.833465  0.615394  1
  Ti  Ti60  1  0.252213  0.438814  0.628036  1
  Ti  Ti61  1  0.752213  0.726469  0.680812  1
  Ti  Ti62  1  0.752213  0.515135  0.657116  1
  Ti  Ti63  1  0.752213  0.119450  0.668978  1
  Ti  Ti64  1  0.252213  0.863047  0.676858  1
  Ti  Ti65  1  0.252213  0.649708  0.652810  1
  Ti  Ti66  1  0.252213  0.256504  0.664605  1
  Ti  Ti67  1  0.752213  0.547617  0.715413  1
  Ti  Ti68  1  0.752213  0.331563  0.692587  1
  Ti  Ti69  1  0.752213  0.936834  0.703864  1
  Ti  Ti70  1  0.252213  0.676413  0.711867  1
  Ti  Ti71  1  0.252213  0.466830  0.689489  1
  Ti  Ti72  1  0.252213  0.070362  0.699747  1
