# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65324125
_cell_length_b   13.21016701
_cell_length_c   46.31033068
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.85263404
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti72
_cell_volume   2804.71474439
_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  0.626439  0.229977  0.323223  1
  Ti  Ti2  1  0.948118  0.872393  0.298282  1
  Ti  Ti3  1  0.270028  0.513317  0.289330  1
  Ti  Ti4  1  0.503991  0.984852  0.312638  1
  Ti  Ti5  1  0.831716  0.637811  0.285277  1
  Ti  Ti6  1  0.188336  0.354177  0.331524  1
  Ti  Ti7  1  0.068014  0.112437  0.314639  1
  Ti  Ti8  1  0.385225  0.746385  0.300792  1
  Ti  Ti9  1  0.749918  0.477107  0.328535  1
  Ti  Ti10  1  0.671059  0.323221  0.376942  1
  Ti  Ti11  1  0.987560  0.955241  0.355300  1
  Ti  Ti12  1  0.307025  0.593285  0.345232  1
  Ti  Ti13  1  0.546177  0.073657  0.367605  1
  Ti  Ti14  1  0.868944  0.716949  0.341634  1
  Ti  Ti15  1  0.228614  0.440301  0.388198  1
  Ti  Ti16  1  0.108703  0.198129  0.371691  1
  Ti  Ti17  1  0.425112  0.830889  0.356796  1
  Ti  Ti18  1  0.789426  0.562238  0.386079  1
  Ti  Ti19  1  0.709354  0.408858  0.432740  1
  Ti  Ti20  1  0.027002  0.041995  0.412267  1
  Ti  Ti21  1  0.346220  0.678253  0.401318  1
  Ti  Ti22  1  0.586754  0.163519  0.422574  1
  Ti  Ti23  1  0.908032  0.801706  0.398473  1
  Ti  Ti24  1  0.267258  0.526288  0.444800  1
  Ti  Ti25  1  0.147530  0.285568  0.429099  1
  Ti  Ti26  1  0.465114  0.918167  0.412436  1
  Ti  Ti27  1  0.828626  0.648736  0.442872  1
  Ti  Ti28  1  0.748910  0.495404  0.488598  1
  Ti  Ti29  1  0.066784  0.129148  0.469070  1
  Ti  Ti30  1  0.385757  0.765214  0.457236  1
  Ti  Ti31  1  0.626937  0.250672  0.478250  1
  Ti  Ti32  1  0.947512  0.888434  0.454918  1
  Ti  Ti33  1  0.306800  0.613032  0.501122  1
  Ti  Ti34  1  0.187441  0.372480  0.486269  1
  Ti  Ti35  1  0.505380  1.006229  0.467911  1
  Ti  Ti36  1  0.868324  0.735845  0.499123  1
  Ti  Ti37  1  0.788617  0.582349  0.544370  1
  Ti  Ti38  1  0.106556  0.216098  0.526012  1
  Ti  Ti39  1  0.425673  0.852733  0.513158  1
  Ti  Ti40  1  0.667059  0.337906  0.534031  1
  Ti  Ti41  1  0.987196  0.975547  0.511159  1
  Ti  Ti42  1  0.346484  0.700145  0.557363  1
  Ti  Ti43  1  0.227213  0.459431  0.543211  1
  Ti  Ti44  1  0.545087  0.093174  0.523683  1
  Ti  Ti45  1  0.908239  0.823365  0.555045  1
  Ti  Ti46  1  0.828882  0.670411  0.599845  1
  Ti  Ti47  1  0.146466  0.303010  0.583182  1
  Ti  Ti48  1  0.465371  0.939843  0.569409  1
  Ti  Ti49  1  0.707242  0.425060  0.589707  1
  Ti  Ti50  1  0.026739  0.062291  0.567481  1
  Ti  Ti51  1  0.385964  0.786873  0.613808  1
  Ti  Ti52  1  0.266995  0.546584  0.600014  1
  Ti  Ti53  1  0.584642  0.179721  0.579541  1
  Ti  Ti54  1  0.947777  0.910325  0.610963  1
  Ti  Ti55  1  0.868884  0.757690  0.655485  1
  Ti  Ti56  1  0.185294  0.390450  0.640590  1
  Ti  Ti57  1  0.504571  0.026340  0.626202  1
  Ti  Ti58  1  0.747820  0.514922  0.644676  1
  Ti  Ti59  1  0.065383  0.148278  0.624083  1
  Ti  Ti60  1  0.425052  0.871630  0.670647  1
  Ti  Ti61  1  0.306437  0.633338  0.656981  1
  Ti  Ti62  1  0.622938  0.265358  0.635339  1
  Ti  Ti63  1  0.986972  0.995294  0.667049  1
  Ti  Ti64  1  0.908771  0.842194  0.711489  1
  Ti  Ti65  1  0.225983  0.476142  0.697642  1
  Ti  Ti66  1  0.544078  0.111471  0.683745  1
  Ti  Ti67  1  0.790006  0.603726  0.699643  1
  Ti  Ti68  1  0.105660  0.234401  0.680757  1
  Ti  Ti69  1  0.462280  0.950768  0.727004  1
  Ti  Ti70  1  0.345878  0.716186  0.713998  1
  Ti  Ti71  1  0.667558  0.358602  0.689058  1
  Ti  Ti72  1  0.023969  0.075261  0.722951  1
