# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92687433
_cell_length_b   2.92687433
_cell_length_c   52.59647893
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti10
_cell_volume   390.207358578
_cell_formula_units_Z   10
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  0.336834  0.669000  0.294668  1
  Ti  Ti2  1  0.670167  0.335667  0.339819  1
  Ti  Ti3  1  0.336834  0.669000  0.385259  1
  Ti  Ti4  1  0.670167  0.335667  0.430766  1
  Ti  Ti5  1  0.336834  0.669000  0.476272  1
  Ti  Ti6  1  0.670167  0.335667  0.521778  1
  Ti  Ti7  1  0.336834  0.669000  0.567284  1
  Ti  Ti8  1  0.670167  0.335667  0.612791  1
  Ti  Ti9  1  0.336834  0.669000  0.658231  1
  Ti  Ti10  1  0.670167  0.335667  0.703382  1
