# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84801419
_cell_length_b   5.84801419
_cell_length_c   47.75309705
_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   Ti36
_cell_volume   1414.32432181
_cell_formula_units_Z   36
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  0.502242  0.501495  0.302262  1
  Ti  Ti2  1  0.502242  1.001495  0.302262  1
  Ti  Ti3  1  0.002242  1.001495  0.302262  1
  Ti  Ti4  1  0.002242  0.501495  0.302262  1
  Ti  Ti5  1  0.835575  0.168161  0.350751  1
  Ti  Ti6  1  0.835575  0.668161  0.350751  1
  Ti  Ti7  1  0.335575  0.668161  0.350751  1
  Ti  Ti8  1  0.335575  0.168161  0.350751  1
  Ti  Ti9  1  0.168909  0.834828  0.400994  1
  Ti  Ti10  1  0.168909  0.334828  0.400994  1
  Ti  Ti11  1  0.668909  0.334828  0.400994  1
  Ti  Ti12  1  0.668909  0.834828  0.400994  1
  Ti  Ti13  1  0.502242  0.501495  0.451222  1
  Ti  Ti14  1  0.502242  1.001495  0.451222  1
  Ti  Ti15  1  0.002242  1.001495  0.451222  1
  Ti  Ti16  1  0.002242  0.501495  0.451222  1
  Ti  Ti17  1  0.835575  0.168161  0.501450  1
  Ti  Ti18  1  0.835575  0.668161  0.501450  1
  Ti  Ti19  1  0.335575  0.668161  0.501450  1
  Ti  Ti20  1  0.335575  0.168161  0.501450  1
  Ti  Ti21  1  0.168909  0.834828  0.551677  1
  Ti  Ti22  1  0.168909  0.334828  0.551677  1
  Ti  Ti23  1  0.668909  0.334828  0.551677  1
  Ti  Ti24  1  0.668909  0.834828  0.551677  1
  Ti  Ti25  1  0.502242  0.501495  0.601906  1
  Ti  Ti26  1  0.502242  1.001495  0.601906  1
  Ti  Ti27  1  0.002242  1.001495  0.601906  1
  Ti  Ti28  1  0.002242  0.501495  0.601906  1
  Ti  Ti29  1  0.835575  0.168161  0.652149  1
  Ti  Ti30  1  0.835575  0.668161  0.652149  1
  Ti  Ti31  1  0.335575  0.668161  0.652149  1
  Ti  Ti32  1  0.335575  0.168161  0.652149  1
  Ti  Ti33  1  0.168909  0.834828  0.700637  1
  Ti  Ti34  1  0.168909  0.334828  0.700637  1
  Ti  Ti35  1  0.668909  0.334828  0.700637  1
  Ti  Ti36  1  0.668909  0.834828  0.700637  1
