# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53332568
_cell_length_b   5.35982890
_cell_length_c   47.89260515
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.62020036
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti27
_cell_volume   1051.37575562
_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  0.039057  0.951482  0.268788  1
  Ti  Ti2  1  0.336469  0.356861  0.282206  1
  Ti  Ti3  1  0.625895  0.779257  0.298306  1
  Ti  Ti4  1  0.899549  0.232530  0.318061  1
  Ti  Ti5  1  0.184280  0.663700  0.332923  1
  Ti  Ti6  1  0.468143  0.096730  0.349641  1
  Ti  Ti7  1  0.746139  0.541499  0.367559  1
  Ti  Ti8  1  0.029839  0.974678  0.383772  1
  Ti  Ti9  1  0.312773  0.409599  0.400589  1
  Ti  Ti10  1  0.593314  0.849176  0.417933  1
  Ti  Ti11  1  0.876070  0.284370  0.434568  1
  Ti  Ti12  1  0.158545  0.720105  0.451401  1
  Ti  Ti13  1  0.439853  0.158200  0.468522  1
  Ti  Ti14  1  0.722276  0.594040  0.485310  1
  Ti  Ti15  1  1.004698  0.029879  0.502098  1
  Ti  Ti16  1  0.286006  0.467974  0.519219  1
  Ti  Ti17  1  0.568481  0.903709  0.536051  1
  Ti  Ti18  1  0.851237  0.338903  0.552686  1
  Ti  Ti19  1  0.131778  0.778480  0.570031  1
  Ti  Ti20  1  0.414712  0.213401  0.586847  1
  Ti  Ti21  1  0.698412  0.646580  0.603061  1
  Ti  Ti22  1  0.976408  0.091349  0.620979  1
  Ti  Ti23  1  0.260271  0.524379  0.637697  1
  Ti  Ti24  1  0.545003  0.955549  0.652559  1
  Ti  Ti25  1  0.818657  0.408822  0.672313  1
  Ti  Ti26  1  0.108082  0.831218  0.688413  1
  Ti  Ti27  1  0.405494  0.236597  0.701831  1
