# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89333368
_cell_length_b   7.82205883
_cell_length_c   47.30685351
_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   Ti27
_cell_volume   1070.64048805
_cell_formula_units_Z   27
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  0.035756  0.114765  0.279195  1
  Ti  Ti2  1  0.535756  0.788154  0.280823  1
  Ti  Ti3  1  0.535756  0.039849  0.329404  1
  Ti  Ti4  1  0.035756  0.703405  0.329698  1
  Ti  Ti5  1  0.535756  0.411297  0.302312  1
  Ti  Ti6  1  0.535756  0.439436  0.361109  1
  Ti  Ti7  1  0.035756  0.138291  0.379010  1
  Ti  Ti8  1  0.535756  0.796813  0.379391  1
  Ti  Ti9  1  0.535756  1.011863  0.426639  1
  Ti  Ti10  1  0.035756  0.687811  0.431119  1
  Ti  Ti11  1  0.535756  0.369639  0.420355  1
  Ti  Ti12  1  0.535756  0.506080  0.476938  1
  Ti  Ti13  1  0.035756  0.195480  0.469584  1
  Ti  Ti14  1  0.535756  0.865050  0.479252  1
  Ti  Ti15  1  0.035756  0.041950  0.523676  1
  Ti  Ti16  1  0.035756  0.674621  0.522676  1
  Ti  Ti17  1  0.535756  0.356694  0.533274  1
  Ti  Ti18  1  0.035756  0.543581  0.579225  1
  Ti  Ti19  1  0.035756  0.174589  0.579910  1
  Ti  Ti20  1  0.535756  0.855388  0.567761  1
  Ti  Ti21  1  0.535756  0.979662  0.623599  1
  Ti  Ti22  1  0.035756  0.671762  0.637061  1
  Ti  Ti23  1  0.535756  0.360798  0.623494  1
  Ti  Ti24  1  0.535756  0.482035  0.681837  1
  Ti  Ti25  1  0.035756  0.170995  0.665131  1
  Ti  Ti26  1  0.535756  0.860351  0.681960  1
  Ti  Ti27  1  0.535756  0.171439  0.716228  1
