# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09396426
_cell_length_b   5.51576767
_cell_length_c   49.88347590
_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   Ti36
_cell_volume   1401.5821756
_cell_formula_units_Z   36
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  0.328307  0.980248  0.312178  1
  Ti  Ti2  1  0.826656  0.117910  0.290264  1
  Ti  Ti3  1  0.175093  0.480248  0.312178  1
  Ti  Ti4  1  0.676744  0.617910  0.290264  1
  Ti  Ti5  1  0.332766  0.694098  0.362083  1
  Ti  Ti6  1  0.830245  0.835093  0.337828  1
  Ti  Ti7  1  0.170634  0.194098  0.362083  1
  Ti  Ti8  1  0.673154  0.335093  0.337828  1
  Ti  Ti9  1  0.334106  0.409994  0.412583  1
  Ti  Ti10  1  0.834300  0.551217  0.387744  1
  Ti  Ti11  1  0.169294  0.909994  0.412583  1
  Ti  Ti12  1  0.669100  0.051217  0.387744  1
  Ti  Ti13  1  0.334273  0.125679  0.462875  1
  Ti  Ti14  1  0.834290  0.267399  0.437871  1
  Ti  Ti15  1  0.169127  0.625679  0.462875  1
  Ti  Ti16  1  0.669109  0.767399  0.437871  1
  Ti  Ti17  1  0.334316  0.841584  0.513115  1
  Ti  Ti18  1  0.834316  0.983416  0.488069  1
  Ti  Ti19  1  0.169083  0.341584  0.513115  1
  Ti  Ti20  1  0.669083  0.483416  0.488069  1
  Ti  Ti21  1  0.334290  0.557601  0.563313  1
  Ti  Ti22  1  0.834273  0.699322  0.538309  1
  Ti  Ti23  1  0.169109  0.057601  0.563313  1
  Ti  Ti24  1  0.669127  0.199322  0.538309  1
  Ti  Ti25  1  0.334300  0.273783  0.613440  1
  Ti  Ti26  1  0.834106  0.415006  0.588601  1
  Ti  Ti27  1  0.169100  0.773783  0.613440  1
  Ti  Ti28  1  0.669294  0.915006  0.588601  1
  Ti  Ti29  1  0.330245  0.989908  0.663356  1
  Ti  Ti30  1  0.832766  0.130903  0.639101  1
  Ti  Ti31  1  0.173154  0.489908  0.663356  1
  Ti  Ti32  1  0.670634  0.630903  0.639101  1
  Ti  Ti33  1  0.326656  0.707090  0.710920  1
  Ti  Ti34  1  0.828307  0.844752  0.689007  1
  Ti  Ti35  1  0.176744  0.207090  0.710920  1
  Ti  Ti36  1  0.675093  0.344752  0.689007  1
