# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70293228
_cell_length_b   5.12553243
_cell_length_c   45.80255488
_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   Ti28
_cell_volume   1104.07204793
_cell_formula_units_Z   28
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  0.752072  0.116117  0.279940  1
  Ti  Ti2  1  0.252072  0.926045  0.307908  1
  Ti  Ti3  1  0.752072  0.602023  0.308175  1
  Ti  Ti4  1  0.252072  0.421892  0.338707  1
  Ti  Ti5  1  0.752072  0.090492  0.341153  1
  Ti  Ti6  1  0.252072  0.919894  0.371845  1
  Ti  Ti7  1  0.752072  0.586461  0.371951  1
  Ti  Ti8  1  0.252072  0.419648  0.404218  1
  Ti  Ti9  1  0.752072  0.085357  0.404915  1
  Ti  Ti10  1  0.252072  0.918925  0.436959  1
  Ti  Ti11  1  0.752072  0.584591  0.436995  1
  Ti  Ti12  1  0.252072  0.418690  0.469374  1
  Ti  Ti13  1  0.752072  0.084294  0.469599  1
  Ti  Ti14  1  0.252072  0.918427  0.501955  1
  Ti  Ti15  1  0.752072  0.584064  0.501969  1
  Ti  Ti16  1  0.252072  0.418197  0.534325  1
  Ti  Ti17  1  0.752072  0.083801  0.534550  1
  Ti  Ti18  1  0.252072  0.917900  0.566929  1
  Ti  Ti19  1  0.752072  0.583566  0.566965  1
  Ti  Ti20  1  0.252072  0.417133  0.599009  1
  Ti  Ti21  1  0.752072  0.082843  0.599706  1
  Ti  Ti22  1  0.252072  0.916030  0.631973  1
  Ti  Ti23  1  0.752072  0.582597  0.632079  1
  Ti  Ti24  1  0.252072  0.411999  0.662770  1
  Ti  Ti25  1  0.752072  0.080599  0.665217  1
  Ti  Ti26  1  0.252072  0.900467  0.695749  1
  Ti  Ti27  1  0.752072  0.576446  0.696016  1
  Ti  Ti28  1  0.252072  0.386374  0.723983  1
