# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92527236
_cell_length_b   7.27933035
_cell_length_c   52.69979289
_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   1122.19064756
_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  1.061332  0.531331  0.255011  1
  Ti  Ti2  1  1.061332  0.172516  0.236705  1
  Ti  Ti3  1  0.561332  0.243957  0.281382  1
  Ti  Ti4  1  0.561332  0.877192  0.260276  1
  Ti  Ti5  1  1.061332  0.326987  0.328020  1
  Ti  Ti6  1  1.061332  0.954890  0.306978  1
  Ti  Ti7  1  0.561332  0.037378  0.354235  1
  Ti  Ti8  1  0.561332  0.614719  0.300908  1
  Ti  Ti9  1  1.061332  0.118616  0.401510  1
  Ti  Ti10  1  1.061332  0.696093  0.348455  1
  Ti  Ti11  1  0.561332  0.777613  0.395762  1
  Ti  Ti12  1  0.561332  0.407662  0.375144  1
  Ti  Ti13  1  1.061332  0.858878  0.443041  1
  Ti  Ti14  1  1.061332  0.488849  0.422308  1
  Ti  Ti15  1  0.561332  0.569962  0.469501  1
  Ti  Ti16  1  0.561332  0.199932  0.448768  1
  Ti  Ti17  1  1.061332  0.651148  0.516665  1
  Ti  Ti18  1  1.061332  0.281197  0.496047  1
  Ti  Ti19  1  0.561332  0.362718  0.543354  1
  Ti  Ti20  1  0.561332  0.940195  0.490299  1
  Ti  Ti21  1  1.061332  0.444091  0.590901  1
  Ti  Ti22  1  1.061332  0.021432  0.537574  1
  Ti  Ti23  1  0.561332  0.103920  0.584832  1
  Ti  Ti24  1  0.561332  0.731824  0.563790  1
  Ti  Ti25  1  1.061332  0.181618  0.631534  1
  Ti  Ti26  1  1.061332  0.814853  0.610427  1
  Ti  Ti27  1  0.561332  0.886294  0.655105  1
  Ti  Ti28  1  0.561332  0.527480  0.636799  1
