# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94604981
_cell_length_b   6.97310399
_cell_length_c   48.70190105
_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   Ti24
_cell_volume   1000.48859327
_cell_formula_units_Z   24
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  1.003487  0.586720  0.350651  1
  Ti  Ti2  1  0.503487  0.857091  0.315287  1
  Ti  Ti3  1  0.503487  0.264752  0.326632  1
  Ti  Ti4  1  1.003487  0.536776  0.292691  1
  Ti  Ti5  1  1.003487  0.044227  0.422122  1
  Ti  Ti6  1  0.503487  0.315217  0.386095  1
  Ti  Ti7  1  0.503487  0.724068  0.398398  1
  Ti  Ti8  1  1.003487  0.995117  0.362677  1
  Ti  Ti9  1  1.003487  0.501337  0.493714  1
  Ti  Ti10  1  0.503487  0.772610  0.457926  1
  Ti  Ti11  1  0.503487  0.181390  0.469972  1
  Ti  Ti12  1  1.003487  0.452513  0.434096  1
  Ti  Ti13  1  1.003487  0.958895  0.565413  1
  Ti  Ti14  1  0.503487  0.230019  0.529537  1
  Ti  Ti15  1  0.503487  0.638798  0.541582  1
  Ti  Ti16  1  1.003487  0.910072  0.505794  1
  Ti  Ti17  1  1.003487  0.416291  0.636832  1
  Ti  Ti18  1  0.503487  0.687340  0.601111  1
  Ti  Ti19  1  0.503487  0.096191  0.613414  1
  Ti  Ti20  1  1.003487  0.367182  0.577387  1
  Ti  Ti21  1  1.003487  0.874632  0.706818  1
  Ti  Ti22  1  0.503487  0.146656  0.672877  1
  Ti  Ti23  1  0.503487  0.554318  0.684222  1
  Ti  Ti24  1  0.003487  0.824688  0.648858  1
