# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62953653
_cell_length_b   4.62953653
_cell_length_c   47.19069520
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti22
_cell_volume   875.915149272
_cell_formula_units_Z   22
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  0.584137  0.584940  0.296286  1
  Ti  Ti2  1  0.917470  0.918273  0.311681  1
  Ti  Ti3  1  0.250803  0.251607  0.329704  1
  Ti  Ti4  1  0.584137  0.584940  0.353180  1
  Ti  Ti5  1  0.917470  0.918273  0.370259  1
  Ti  Ti6  1  0.250803  0.251607  0.391067  1
  Ti  Ti7  1  0.584137  0.584940  0.412767  1
  Ti  Ti8  1  0.917470  0.918273  0.430822  1
  Ti  Ti9  1  0.250803  0.251607  0.452184  1
  Ti  Ti10  1  0.584137  0.584940  0.472395  1
  Ti  Ti11  1  0.917470  0.918273  0.491484  1
  Ti  Ti12  1  0.250803  0.251607  0.512991  1
  Ti  Ti13  1  0.584137  0.584940  0.532080  1
  Ti  Ti14  1  0.917470  0.918273  0.552290  1
  Ti  Ti15  1  0.250803  0.251607  0.573653  1
  Ti  Ti16  1  0.584137  0.584940  0.591707  1
  Ti  Ti17  1  0.917470  0.918273  0.613407  1
  Ti  Ti18  1  0.250803  0.251607  0.634216  1
  Ti  Ti19  1  0.584137  0.584940  0.651295  1
  Ti  Ti20  1  0.917470  0.918273  0.674770  1
  Ti  Ti21  1  0.250803  0.251607  0.692793  1
  Ti  Ti22  1  0.584137  0.584940  0.708188  1
