# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92606182
_cell_length_b   7.39487125
_cell_length_c   52.44979142
_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   1134.90074069
_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  1.062520  0.522620  0.257272  1
  Ti  Ti2  1  1.062520  0.158296  0.239335  1
  Ti  Ti3  1  0.562520  0.237098  0.284821  1
  Ti  Ti4  1  0.562520  0.865077  0.262666  1
  Ti  Ti5  1  1.062520  0.318633  0.331358  1
  Ti  Ti6  1  1.062520  0.947137  0.309837  1
  Ti  Ti7  1  0.562520  0.029538  0.357213  1
  Ti  Ti8  1  0.562520  0.605710  0.304434  1
  Ti  Ti9  1  1.062520  0.111591  0.404539  1
  Ti  Ti10  1  1.062520  0.687631  0.351771  1
  Ti  Ti11  1  0.562520  0.769578  0.399083  1
  Ti  Ti12  1  0.562520  0.399966  0.378380  1
  Ti  Ti13  1  1.062520  0.851631  0.446366  1
  Ti  Ti14  1  1.062520  0.481786  0.425523  1
  Ti  Ti15  1  0.562520  0.563632  0.472676  1
  Ti  Ti16  1  0.562520  0.193787  0.451833  1
  Ti  Ti17  1  1.062520  0.645452  0.519819  1
  Ti  Ti18  1  1.062520  0.275840  0.499116  1
  Ti  Ti19  1  0.562520  0.357787  0.546428  1
  Ti  Ti20  1  0.562520  0.933828  0.493660  1
  Ti  Ti21  1  1.062520  0.439708  0.593764  1
  Ti  Ti22  1  1.062520  0.015881  0.540986  1
  Ti  Ti23  1  0.562520  0.098281  0.588362  1
  Ti  Ti24  1  0.562520  0.726785  0.566841  1
  Ti  Ti25  1  1.062520  0.180341  0.635532  1
  Ti  Ti26  1  1.062520  0.808320  0.613378  1
  Ti  Ti27  1  0.562520  0.887122  0.658864  1
  Ti  Ti28  1  0.562520  0.522798  0.640927  1
