# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57828704
_cell_length_b   5.38748879
_cell_length_c   46.74046435
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   115.15604211
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti27
_cell_volume   1043.52925724
_cell_formula_units_Z   27
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  0.021684  0.032166  0.286060  1
  Ti  Ti2  1  0.705993  0.400715  0.298676  1
  Ti  Ti3  1  0.416903  0.822661  0.310847  1
  Ti  Ti4  1  0.162528  0.313821  0.334134  1
  Ti  Ti5  1  0.881724  0.752301  0.346783  1
  Ti  Ti6  1  0.592809  0.174440  0.361291  1
  Ti  Ti7  1  0.326526  0.641935  0.381995  1
  Ti  Ti8  1  0.043649  0.076160  0.398118  1
  Ti  Ti9  1  0.757191  0.503300  0.413131  1
  Ti  Ti10  1  0.484739  0.958385  0.432202  1
  Ti  Ti11  1  0.205299  0.399543  0.448604  1
  Ti  Ti12  1  0.922477  0.833905  0.464374  1
  Ti  Ti13  1  0.647156  0.283289  0.482514  1
  Ti  Ti14  1  0.366560  0.722115  0.498857  1
  Ti  Ti15  1  0.085965  0.160941  0.515201  1
  Ti  Ti16  1  0.810644  0.610324  0.533341  1
  Ti  Ti17  1  0.527822  0.044686  0.549111  1
  Ti  Ti18  1  0.248381  0.485844  0.565513  1
  Ti  Ti19  1  0.975930  0.940929  0.584583  1
  Ti  Ti20  1  0.689471  0.368070  0.599597  1
  Ti  Ti21  1  0.406595  0.802294  0.615720  1
  Ti  Ti22  1  0.140312  0.269790  0.636424  1
  Ti  Ti23  1  0.851396  0.691928  0.650931  1
  Ti  Ti24  1  0.570592  0.130408  0.663581  1
  Ti  Ti25  1  0.316218  0.621568  0.686868  1
  Ti  Ti26  1  0.027128  0.043514  0.699039  1
  Ti  Ti27  1  0.711437  0.412063  0.711655  1
