# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14175894
_cell_length_b   9.31333910
_cell_length_c   48.56814834
_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   Ti48
_cell_volume   1873.44859365
_cell_formula_units_Z   48
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  1.003728  0.377708  0.335927  1
  Ti  Ti2  1  1.003728  0.980663  0.297338  1
  Ti  Ti3  1  0.503728  0.783034  0.280256  1
  Ti  Ti4  1  0.503728  0.177432  0.316219  1
  Ti  Ti5  1  0.503728  0.480663  0.297338  1
  Ti  Ti6  1  0.503728  0.877708  0.335927  1
  Ti  Ti7  1  1.003728  0.677432  0.316219  1
  Ti  Ti8  1  1.003728  0.283034  0.280256  1
  Ti  Ti9  1  1.003728  0.176941  0.412582  1
  Ti  Ti10  1  1.003728  0.777089  0.373942  1
  Ti  Ti11  1  0.503728  0.577289  0.354541  1
  Ti  Ti12  1  0.503728  0.977320  0.393397  1
  Ti  Ti13  1  0.503728  0.277089  0.373942  1
  Ti  Ti14  1  0.503728  0.676941  0.412582  1
  Ti  Ti15  1  1.003728  0.477320  0.393397  1
  Ti  Ti16  1  1.003728  0.077289  0.354541  1
  Ti  Ti17  1  1.003728  0.976010  0.489826  1
  Ti  Ti18  1  1.003728  0.576502  0.451236  1
  Ti  Ti19  1  0.503728  0.376643  0.431914  1
  Ti  Ti20  1  0.503728  0.776247  0.470520  1
  Ti  Ti21  1  0.503728  0.076502  0.451236  1
  Ti  Ti22  1  0.503728  0.476010  0.489826  1
  Ti  Ti23  1  1.003728  0.276247  0.470520  1
  Ti  Ti24  1  1.003728  0.876643  0.431914  1
  Ti  Ti25  1  1.003728  0.775178  0.567044  1
  Ti  Ti26  1  1.003728  0.375575  0.528439  1
  Ti  Ti27  1  0.503728  0.175812  0.509133  1
  Ti  Ti28  1  0.503728  0.575319  0.547723  1
  Ti  Ti29  1  0.503728  0.875575  0.528439  1
  Ti  Ti30  1  0.503728  0.275178  0.567044  1
  Ti  Ti31  1  1.003728  0.075319  0.547723  1
  Ti  Ti32  1  1.003728  0.675812  0.509133  1
  Ti  Ti33  1  1.003728  0.574532  0.644418  1
  Ti  Ti34  1  1.003728  0.174501  0.605561  1
  Ti  Ti35  1  0.503728  0.974880  0.586377  1
  Ti  Ti36  1  0.503728  0.374732  0.625016  1
  Ti  Ti37  1  0.503728  0.674501  0.605561  1
  Ti  Ti38  1  0.503728  0.074532  0.644418  1
  Ti  Ti39  1  1.003728  0.874732  0.625016  1
  Ti  Ti40  1  1.003728  0.474880  0.586377  1
  Ti  Ti41  1  1.003728  0.368788  0.718702  1
  Ti  Ti42  1  1.003728  0.974390  0.682740  1
  Ti  Ti43  1  0.503728  0.774114  0.663032  1
  Ti  Ti44  1  0.503728  0.171158  0.701621  1
  Ti  Ti45  1  0.503728  0.474390  0.682740  1
  Ti  Ti46  1  0.503728  0.868788  0.718702  1
  Ti  Ti47  1  1.003728  0.671158  0.701621  1
  Ti  Ti48  1  1.003728  0.274114  0.663032  1
