# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69927805
_cell_length_b   4.69927805
_cell_length_c   47.99015576
_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   Ti24
_cell_volume   917.79370685
_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  1.001557  1.001038  0.278087  1
  Ti  Ti2  1  0.668224  0.334371  0.303928  1
  Ti  Ti3  1  0.334890  0.667705  0.303928  1
  Ti  Ti4  1  1.001557  0.001038  0.334737  1
  Ti  Ti5  1  0.668224  0.334371  0.363088  1
  Ti  Ti6  1  0.334890  0.667705  0.363088  1
  Ti  Ti7  1  0.001557  0.001038  0.393145  1
  Ti  Ti8  1  0.668224  0.334371  0.422259  1
  Ti  Ti9  1  0.334890  0.667705  0.422259  1
  Ti  Ti10  1  0.001557  1.001038  0.451969  1
  Ti  Ti11  1  0.668224  0.334371  0.481306  1
  Ti  Ti12  1  0.334890  0.667705  0.481306  1
  Ti  Ti13  1  1.001557  1.001038  0.510934  1
  Ti  Ti14  1  0.668224  0.334371  0.540293  1
  Ti  Ti15  1  0.334890  0.667705  0.540293  1
  Ti  Ti16  1  1.001557  1.001038  0.570007  1
  Ti  Ti17  1  0.668224  0.334371  0.599208  1
  Ti  Ti18  1  0.334890  0.667705  0.599208  1
  Ti  Ti19  1  1.001557  1.001038  0.629286  1
  Ti  Ti20  1  0.668224  0.334371  0.657910  1
  Ti  Ti21  1  0.334890  0.667705  0.657910  1
  Ti  Ti22  1  1.001557  1.001038  0.688980  1
  Ti  Ti23  1  0.668224  0.334371  0.715553  1
  Ti  Ti24  1  0.334890  0.667705  0.715553  1
