# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95087285
_cell_length_b   5.11106170
_cell_length_c   47.53078325
_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   Ti18
_cell_volume   716.863701906
_cell_formula_units_Z   18
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  0.552795  0.303207  0.285374  1
  Ti  Ti2  1  1.052795  0.803207  0.285374  1
  Ti  Ti3  1  0.552795  -0.030126  0.335213  1
  Ti  Ti4  1  1.052795  0.469874  0.335213  1
  Ti  Ti5  1  0.552795  0.636540  0.385443  1
  Ti  Ti6  1  1.052795  0.136540  0.385443  1
  Ti  Ti7  1  0.552795  -0.030126  0.435299  1
  Ti  Ti8  1  1.052795  0.469874  0.435299  1
  Ti  Ti9  1  0.552795  0.636540  0.485154  1
  Ti  Ti10  1  1.052795  0.136540  0.485154  1
  Ti  Ti11  1  0.552795  -0.030126  0.535419  1
  Ti  Ti12  1  1.052795  0.469874  0.535419  1
  Ti  Ti13  1  0.552795  0.303207  0.585684  1
  Ti  Ti14  1  1.052795  0.803207  0.585684  1
  Ti  Ti15  1  0.552795  -0.030126  0.635533  1
  Ti  Ti16  1  1.052795  0.469874  0.635533  1
  Ti  Ti17  1  0.552795  0.303207  0.685025  1
  Ti  Ti18  1  1.052795  0.803207  0.685025  1
