# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94955387
_cell_length_b   9.12655264
_cell_length_c   48.36641233
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.31903399
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti30
_cell_volume   1284.80429817
_cell_formula_units_Z   30
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  0.354147  0.702469  0.348494  1
  Ti  Ti2  1  0.595966  0.185994  0.294962  1
  Ti  Ti3  1  0.974351  0.942945  0.320970  1
  Ti  Ti4  1  0.743934  0.482185  0.316677  1
  Ti  Ti5  1  0.123989  0.242296  0.344706  1
  Ti  Ti6  1  0.503025  1.000418  0.371817  1
  Ti  Ti7  1  0.490629  0.975402  0.432159  1
  Ti  Ti8  1  0.733555  0.461252  0.376401  1
  Ti  Ti9  1  0.111973  0.218088  0.404515  1
  Ti  Ti10  1  0.881948  0.758250  0.399534  1
  Ti  Ti11  1  0.260784  0.515899  0.427544  1
  Ti  Ti12  1  0.639513  0.273347  0.455507  1
  Ti  Ti13  1  0.627093  0.248298  0.515773  1
  Ti  Ti14  1  0.869526  0.733184  0.459985  1
  Ti  Ti15  1  0.248368  0.490853  0.487910  1
  Ti  Ti16  1  0.018194  0.030711  0.483274  1
  Ti  Ti17  1  0.396920  0.788157  0.511136  1
  Ti  Ti18  1  0.775761  0.545825  0.539061  1
  Ti  Ti19  1  0.763339  0.520759  0.599512  1
  Ti  Ti20  1  0.005774  0.005662  0.543539  1
  Ti  Ti21  1  0.384503  0.763110  0.571503  1
  Ti  Ti22  1  0.154658  0.303607  0.566888  1
  Ti  Ti23  1  0.533314  0.060921  0.594531  1
  Ti  Ti24  1  0.911732  0.817758  0.622645  1
  Ti  Ti25  1  0.901353  0.796824  0.682369  1
  Ti  Ti26  1  0.142262  0.278591  0.627229  1
  Ti  Ti27  1  0.521299  0.036713  0.654341  1
  Ti  Ti28  1  0.291140  0.576540  0.650553  1
  Ti  Ti29  1  0.670936  0.336064  0.678076  1
  Ti  Ti30  1  0.049322  0.093015  0.704084  1
