# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07265739
_cell_length_b   5.86756262
_cell_length_c   47.35523989
_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   Ti28
_cell_volume   1131.62791268
_cell_formula_units_Z   28
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  0.509387  0.625015  0.293322  1
  Ti  Ti2  1  1.009387  0.875015  0.323106  1
  Ti  Ti3  1  1.009387  0.375015  0.323106  1
  Ti  Ti4  1  0.509387  0.125015  0.293322  1
  Ti  Ti5  1  0.509387  0.125015  0.354471  1
  Ti  Ti6  1  1.009387  0.375015  0.385700  1
  Ti  Ti7  1  1.009387  0.875015  0.385700  1
  Ti  Ti8  1  0.509387  0.625015  0.354471  1
  Ti  Ti9  1  0.509387  0.625015  0.417133  1
  Ti  Ti10  1  1.009387  0.875015  0.448526  1
  Ti  Ti11  1  1.009387  0.375015  0.448526  1
  Ti  Ti12  1  0.509387  0.125015  0.417133  1
  Ti  Ti13  1  0.509387  0.125015  0.479935  1
  Ti  Ti14  1  1.009387  0.375015  0.511337  1
  Ti  Ti15  1  1.009387  0.875015  0.511337  1
  Ti  Ti16  1  0.509387  0.625015  0.479935  1
  Ti  Ti17  1  0.509387  0.625015  0.542747  1
  Ti  Ti18  1  1.009387  0.875015  0.574140  1
  Ti  Ti19  1  1.009387  0.375015  0.574140  1
  Ti  Ti20  1  0.509387  0.125015  0.542747  1
  Ti  Ti21  1  0.509387  0.125015  0.605572  1
  Ti  Ti22  1  1.009387  0.375015  0.636802  1
  Ti  Ti23  1  1.009387  0.875015  0.636802  1
  Ti  Ti24  1  0.509387  0.625015  0.605572  1
  Ti  Ti25  1  0.509387  0.625015  0.668167  1
  Ti  Ti26  1  1.009387  0.875015  0.697950  1
  Ti  Ti27  1  1.009387  0.375015  0.697950  1
  Ti  Ti28  1  0.509387  0.125015  0.668167  1
