# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93342393
_cell_length_b   9.08344230
_cell_length_c   51.95350062
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.32510211
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti36
_cell_volume   1366.0373306
_cell_formula_units_Z   36
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  0.352813  0.699738  0.322025  1
  Ti  Ti2  1  0.596744  0.187403  0.273968  1
  Ti  Ti3  1  0.975149  0.944439  0.297209  1
  Ti  Ti4  1  0.740589  0.475806  0.293422  1
  Ti  Ti5  1  0.121773  0.238104  0.318926  1
  Ti  Ti6  1  0.500545  0.995648  0.343714  1
  Ti  Ti7  1  0.488287  0.970479  0.399389  1
  Ti  Ti8  1  0.732010  0.458061  0.347629  1
  Ti  Ti9  1  0.110011  0.213923  0.373904  1
  Ti  Ti10  1  0.879385  0.753297  0.369181  1
  Ti  Ti11  1  0.258044  0.510564  0.395082  1
  Ti  Ti12  1  0.636671  0.267738  0.421043  1
  Ti  Ti13  1  0.624207  0.242188  0.476631  1
  Ti  Ti14  1  0.866982  0.727834  0.425048  1
  Ti  Ti15  1  0.245707  0.485228  0.450848  1
  Ti  Ti16  1  0.015146  0.024653  0.446671  1
  Ti  Ti17  1  0.393758  0.781837  0.472382  1
  Ti  Ti18  1  0.772364  0.539003  0.498139  1
  Ti  Ti19  1  0.759968  0.513582  0.553834  1
  Ti  Ti20  1  1.002750  0.999233  0.502366  1
  Ti  Ti21  1  0.381356  0.756398  0.528122  1
  Ti  Ti22  1  0.150907  0.296047  0.523874  1
  Ti  Ti23  1  0.529407  0.053007  0.549656  1
  Ti  Ti24  1  0.908132  0.810401  0.575456  1
  Ti  Ti25  1  0.895729  0.784938  0.631323  1
  Ti  Ti26  1  0.138442  0.270497  0.579461  1
  Ti  Ti27  1  0.517070  0.027671  0.605422  1
  Ti  Ti28  1  0.286827  0.567757  0.601115  1
  Ti  Ti29  1  0.665103  0.324312  0.626601  1
  Ti  Ti30  1  0.043104  0.080174  0.652875  1
  Ti  Ti31  1  0.034525  0.062429  0.707082  1
  Ti  Ti32  1  0.274568  0.542587  0.656791  1
  Ti  Ti33  1  0.653341  0.300132  0.681578  1
  Ti  Ti34  1  0.422301  0.838497  0.678480  1
  Ti  Ti35  1  0.799965  0.593796  0.703295  1
  Ti  Ti36  1  0.178370  0.350832  0.726536  1
