# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07475227
_cell_length_b   4.07475227
_cell_length_c   50.75567214
_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   Ti20
_cell_volume   842.72718741
_cell_formula_units_Z   20
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  0.008931  0.508931  0.303487  1
  Ti  Ti2  1  0.508931  0.008931  0.303487  1
  Ti  Ti3  1  0.008931  0.008931  0.343971  1
  Ti  Ti4  1  0.508931  0.508931  0.343971  1
  Ti  Ti5  1  0.008931  0.508931  0.385715  1
  Ti  Ti6  1  0.508931  0.008931  0.385715  1
  Ti  Ti7  1  0.008931  0.008931  0.427547  1
  Ti  Ti8  1  0.508931  0.508931  0.427547  1
  Ti  Ti9  1  0.008931  0.508931  0.469378  1
  Ti  Ti10  1  0.508931  0.008931  0.469378  1
  Ti  Ti11  1  0.008931  0.008931  0.511209  1
  Ti  Ti12  1  0.508931  0.508931  0.511209  1
  Ti  Ti13  1  0.008931  0.508931  0.553040  1
  Ti  Ti14  1  0.508931  0.008931  0.553040  1
  Ti  Ti15  1  0.008931  0.008931  0.594873  1
  Ti  Ti16  1  0.508931  0.508931  0.594873  1
  Ti  Ti17  1  0.008931  0.508931  0.636617  1
  Ti  Ti18  1  0.508931  0.008931  0.636617  1
  Ti  Ti19  1  0.008931  0.008931  0.677101  1
  Ti  Ti20  1  0.508931  0.508931  0.677101  1
