# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09396728
_cell_length_b   4.09396728
_cell_length_c   50.74892543
_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   850.58082023
_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  1.006736  0.506736  0.303376  1
  Ti  Ti2  1  0.506736  0.006736  0.303376  1
  Ti  Ti3  1  1.006736  1.006736  0.344554  1
  Ti  Ti4  1  0.506736  0.506736  0.344554  1
  Ti  Ti5  1  1.006736  0.506736  0.386105  1
  Ti  Ti6  1  0.506736  0.006736  0.386105  1
  Ti  Ti7  1  1.006736  1.006736  0.427877  1
  Ti  Ti8  1  0.506736  0.506736  0.427877  1
  Ti  Ti9  1  1.006736  0.506736  0.469657  1
  Ti  Ti10  1  0.506736  0.006736  0.469657  1
  Ti  Ti11  1  1.006736  1.006736  0.511436  1
  Ti  Ti12  1  0.506736  0.506736  0.511436  1
  Ti  Ti13  1  1.006736  0.506736  0.553217  1
  Ti  Ti14  1  0.506736  0.006736  0.553217  1
  Ti  Ti15  1  1.006736  1.006736  0.594988  1
  Ti  Ti16  1  0.506736  0.506736  0.594988  1
  Ti  Ti17  1  1.006736  0.506736  0.636540  1
  Ti  Ti18  1  0.506736  0.006736  0.636540  1
  Ti  Ti19  1  1.006736  1.006736  0.677717  1
  Ti  Ti20  1  0.506736  0.506736  0.677717  1
