# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13832642
_cell_length_b   15.02707993
_cell_length_c   48.63008981
_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   Ti72
_cell_volume   3024.15754318
_cell_formula_units_Z   72
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  1.004146  0.411535  0.350934  1
  Ti  Ti2  1  1.004146  0.182992  0.303976  1
  Ti  Ti3  1  1.004146  0.796759  0.327037  1
  Ti  Ti4  1  0.504146  0.682992  0.303976  1
  Ti  Ti5  1  0.504146  0.296759  0.327037  1
  Ti  Ti6  1  0.504146  0.911535  0.350934  1
  Ti  Ti7  1  0.504146  0.489842  0.314933  1
  Ti  Ti8  1  0.504146  0.103297  0.338150  1
  Ti  Ti9  1  0.504146  0.874150  0.293582  1
  Ti  Ti10  1  1.004146  0.603297  0.338150  1
  Ti  Ti11  1  1.004146  0.374150  0.293582  1
  Ti  Ti12  1  1.004146  0.989842  0.314933  1
  Ti  Ti13  1  1.004146  0.257370  0.422052  1
  Ti  Ti14  1  1.004146  0.026922  0.374009  1
  Ti  Ti15  1  1.004146  0.642011  0.398003  1
  Ti  Ti16  1  0.504146  0.526922  0.374009  1
  Ti  Ti17  1  0.504146  0.142011  0.398003  1
  Ti  Ti18  1  0.504146  0.757370  0.422052  1
  Ti  Ti19  1  0.504146  0.334461  0.386252  1
  Ti  Ti20  1  0.504146  0.949950  0.410214  1
  Ti  Ti21  1  0.504146  0.718956  0.362289  1
  Ti  Ti22  1  1.004146  0.449950  0.410214  1
  Ti  Ti23  1  1.004146  0.218956  0.362289  1
  Ti  Ti24  1  1.004146  0.834461  0.386252  1
  Ti  Ti25  1  1.004146  0.103187  0.493745  1
  Ti  Ti26  1  1.004146  0.872664  0.445999  1
  Ti  Ti27  1  1.004146  0.487955  0.469886  1
  Ti  Ti28  1  0.504146  0.372664  0.445999  1
  Ti  Ti29  1  0.504146  0.987955  0.469886  1
  Ti  Ti30  1  0.504146  0.603187  0.493745  1
  Ti  Ti31  1  0.504146  0.180264  0.457870  1
  Ti  Ti32  1  0.504146  0.795546  0.481832  1
  Ti  Ti33  1  0.504146  0.565081  0.433946  1
  Ti  Ti34  1  1.004146  0.295546  0.481832  1
  Ti  Ti35  1  1.004146  0.065081  0.433946  1
  Ti  Ti36  1  1.004146  0.680264  0.457870  1
  Ti  Ti37  1  1.004146  0.948910  0.565555  1
  Ti  Ti38  1  1.004146  0.718445  0.517669  1
  Ti  Ti39  1  1.004146  0.333727  0.541631  1
  Ti  Ti40  1  0.504146  0.218445  0.517669  1
  Ti  Ti41  1  0.504146  0.833727  0.541631  1
  Ti  Ti42  1  0.504146  0.448910  0.565555  1
  Ti  Ti43  1  0.504146  0.026036  0.529615  1
  Ti  Ti44  1  0.504146  0.641326  0.553502  1
  Ti  Ti45  1  0.504146  0.410803  0.505756  1
  Ti  Ti46  1  1.004146  0.141326  0.553502  1
  Ti  Ti47  1  1.004146  0.910803  0.505756  1
  Ti  Ti48  1  1.004146  0.526036  0.529615  1
  Ti  Ti49  1  1.004146  0.795035  0.637212  1
  Ti  Ti50  1  1.004146  0.564041  0.589287  1
  Ti  Ti51  1  1.004146  0.179530  0.613249  1
  Ti  Ti52  1  0.504146  0.064041  0.589287  1
  Ti  Ti53  1  0.504146  0.679530  0.613249  1
  Ti  Ti54  1  0.504146  0.295035  0.637212  1
  Ti  Ti55  1  0.504146  0.871980  0.601498  1
  Ti  Ti56  1  0.504146  0.487068  0.625492  1
  Ti  Ti57  1  0.504146  0.256620  0.577449  1
  Ti  Ti58  1  1.004146  0.987068  0.625492  1
  Ti  Ti59  1  1.004146  0.756620  0.577449  1
  Ti  Ti60  1  1.004146  0.371980  0.601498  1
  Ti  Ti61  1  1.004146  0.639841  0.705919  1
  Ti  Ti62  1  1.004146  0.410694  0.661351  1
  Ti  Ti63  1  1.004146  0.024148  0.684568  1
  Ti  Ti64  1  0.504146  0.910694  0.661351  1
  Ti  Ti65  1  0.504146  0.524148  0.684568  1
  Ti  Ti66  1  0.504146  0.139841  0.705919  1
  Ti  Ti67  1  0.504146  0.717231  0.672465  1
  Ti  Ti68  1  0.504146  0.330999  0.695525  1
  Ti  Ti69  1  0.504146  0.102455  0.648567  1
  Ti  Ti70  1  1.004146  0.830999  0.695525  1
  Ti  Ti71  1  1.004146  0.602455  0.648567  1
  Ti  Ti72  1  1.004146  0.217231  0.672465  1
