# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87856181
_cell_length_b   5.87856181
_cell_length_c   48.00618564
_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   Ti36
_cell_volume   1436.71295992
_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  0.419159  0.085612  0.290241  1
  Ti  Ti2  1  0.419159  0.584502  0.290241  1
  Ti  Ti3  1  0.252863  0.251909  0.339386  1
  Ti  Ti4  1  0.920270  0.085612  0.290241  1
  Ti  Ti5  1  0.753640  0.751132  0.338429  1
  Ti  Ti6  1  0.753640  0.253462  0.338429  1
  Ti  Ti7  1  0.586196  0.918575  0.388432  1
  Ti  Ti8  1  0.251309  0.751132  0.338429  1
  Ti  Ti9  1  0.085857  0.418915  0.388794  1
  Ti  Ti10  1  0.085857  0.917897  0.388794  1
  Ti  Ti11  1  0.919530  0.585242  0.439094  1
  Ti  Ti12  1  0.586875  0.418915  0.388794  1
  Ti  Ti13  1  0.419630  0.085142  0.438997  1
  Ti  Ti14  1  0.419630  0.585443  0.438997  1
  Ti  Ti15  1  0.252863  0.251909  0.489331  1
  Ti  Ti16  1  0.919329  0.085142  0.438997  1
  Ti  Ti17  1  0.752861  0.751910  0.489332  1
  Ti  Ti18  1  0.752861  0.251906  0.489332  1
  Ti  Ti19  1  0.586196  0.918575  0.539574  1
  Ti  Ti20  1  0.252866  0.751910  0.489332  1
  Ti  Ti21  1  0.086105  0.418666  0.539665  1
  Ti  Ti22  1  0.086105  0.918393  0.539665  1
  Ti  Ti23  1  0.919530  0.585242  0.590203  1
  Ti  Ti24  1  0.586379  0.418666  0.539665  1
  Ti  Ti25  1  0.419881  0.084890  0.589871  1
  Ti  Ti26  1  0.419881  0.585946  0.589871  1
  Ti  Ti27  1  0.252863  0.251909  0.639400  1
  Ti  Ti28  1  0.918826  0.084890  0.589871  1
  Ti  Ti29  1  0.751954  0.752818  0.640510  1
  Ti  Ti30  1  0.751954  0.250090  0.640510  1
  Ti  Ti31  1  0.586196  0.918575  0.692072  1
  Ti  Ti32  1  0.254681  0.752818  0.640510  1
  Ti  Ti33  1  0.088504  0.416268  0.688927  1
  Ti  Ti34  1  0.088504  0.923191  0.688927  1
  Ti  Ti35  1  0.919530  0.585242  0.733932  1
  Ti  Ti36  1  0.581581  0.416268  0.688927  1
