# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63858681
_cell_length_b   4.63858681
_cell_length_c   47.43450027
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999999
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti22
_cell_volume   883.886169221
_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  0.169401  0.585156  0.293296  1
  Ti  Ti2  1  0.836068  0.918490  0.310717  1
  Ti  Ti3  1  0.502734  0.251823  0.328758  1
  Ti  Ti4  1  0.169401  0.585156  0.351332  1
  Ti  Ti5  1  0.836068  0.918490  0.370408  1
  Ti  Ti6  1  0.502734  0.251823  0.389840  1
  Ti  Ti7  1  0.169401  0.585156  0.410896  1
  Ti  Ti8  1  0.836068  0.918490  0.430591  1
  Ti  Ti9  1  0.502734  0.251823  0.450451  1
  Ti  Ti10  1  0.169401  0.585156  0.470837  1
  Ti  Ti11  1  0.836068  0.918490  0.490872  1
  Ti  Ti12  1  0.502734  0.251823  0.510825  1
  Ti  Ti13  1  0.169401  0.585156  0.530860  1
  Ti  Ti14  1  0.836068  0.918490  0.551246  1
  Ti  Ti15  1  0.502734  0.251823  0.571106  1
  Ti  Ti16  1  0.169401  0.585156  0.590800  1
  Ti  Ti17  1  0.836068  0.918490  0.611857  1
  Ti  Ti18  1  0.502734  0.251823  0.631289  1
  Ti  Ti19  1  0.169401  0.585156  0.650364  1
  Ti  Ti20  1  0.836068  0.918490  0.672938  1
  Ti  Ti21  1  0.502734  0.251823  0.690979  1
  Ti  Ti22  1  0.169401  0.585156  0.708400  1
