# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.57831545
_cell_length_b   5.51735454
_cell_length_c   46.45941917
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.31649998
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti66
_cell_volume   2519.69872886
_cell_formula_units_Z   66
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  0.057154  0.010223  0.304489  1
  Ti  Ti2  1  0.508629  0.117915  0.280161  1
  Ti  Ti3  1  0.781624  0.063415  0.291135  1
  Ti  Ti4  1  0.988523  0.550837  0.294182  1
  Ti  Ti5  1  0.267582  0.490550  0.306665  1
  Ti  Ti6  1  0.713572  0.609876  0.281490  1
  Ti  Ti7  1  0.901322  0.834177  0.345317  1
  Ti  Ti8  1  0.340632  0.948292  0.316696  1
  Ti  Ti9  1  0.622203  0.896018  0.332212  1
  Ti  Ti10  1  0.830817  0.382278  0.334756  1
  Ti  Ti11  1  0.112194  0.323536  0.348283  1
  Ti  Ti12  1  0.549650  0.445386  0.320300  1
  Ti  Ti13  1  0.741215  0.665035  0.387621  1
  Ti  Ti14  1  0.181269  0.778305  0.358529  1
  Ti  Ti15  1  0.460197  0.722550  0.372966  1
  Ti  Ti16  1  0.672591  0.212707  0.376027  1
  Ti  Ti17  1  0.953932  0.152343  0.389933  1
  Ti  Ti18  1  0.392148  0.267275  0.361119  1
  Ti  Ti19  1  0.581240  0.493724  0.429155  1
  Ti  Ti20  1  0.021473  0.607344  0.401196  1
  Ti  Ti21  1  0.301415  0.549739  0.414776  1
  Ti  Ti22  1  0.513480  0.040197  0.417552  1
  Ti  Ti23  1  0.794132  0.983493  0.431791  1
  Ti  Ti24  1  0.233875  0.095823  0.403656  1
  Ti  Ti25  1  0.422054  0.321879  0.470884  1
  Ti  Ti26  1  0.861994  0.436165  0.443146  1
  Ti  Ti27  1  0.142158  0.379090  0.456934  1
  Ti  Ti28  1  0.354486  0.868279  0.459477  1
  Ti  Ti29  1  0.634757  0.811994  0.473496  1
  Ti  Ti30  1  0.074704  0.925322  0.445652  1
  Ti  Ti31  1  0.262695  0.150969  0.512768  1
  Ti  Ti32  1  0.702343  0.265406  0.485002  1
  Ti  Ti33  1  0.982601  0.208324  0.498877  1
  Ti  Ti34  1  0.195181  0.697518  0.501425  1
  Ti  Ti35  1  0.475439  0.640436  0.515300  1
  Ti  Ti36  1  0.915087  0.754873  0.487534  1
  Ti  Ti37  1  0.103077  0.980520  0.554650  1
  Ti  Ti38  1  0.543024  0.093848  0.526806  1
  Ti  Ti39  1  0.823296  0.037563  0.540825  1
  Ti  Ti40  1  0.035624  0.526752  0.543368  1
  Ti  Ti41  1  0.315787  0.469677  0.557155  1
  Ti  Ti42  1  0.755728  0.583963  0.529417  1
  Ti  Ti43  1  0.943907  0.810019  0.596646  1
  Ti  Ti44  1  0.383650  0.922349  0.568511  1
  Ti  Ti45  1  0.664302  0.865645  0.582750  1
  Ti  Ti46  1  0.876367  0.356103  0.585526  1
  Ti  Ti47  1  0.156309  0.298498  0.599106  1
  Ti  Ti48  1  0.596542  0.412118  0.571147  1
  Ti  Ti49  1  0.785633  0.638567  0.639183  1
  Ti  Ti50  1  0.223849  0.753499  0.610369  1
  Ti  Ti51  1  0.505191  0.693135  0.624274  1
  Ti  Ti52  1  0.717585  0.183292  0.627335  1
  Ti  Ti53  1  0.996512  0.127537  0.641773  1
  Ti  Ti54  1  0.436566  0.240807  0.612681  1
  Ti  Ti55  1  0.628132  0.460456  0.680002  1
  Ti  Ti56  1  0.065588  0.582306  0.652019  1
  Ti  Ti57  1  0.346965  0.523564  0.665546  1
  Ti  Ti58  1  0.555578  0.009825  0.668089  1
  Ti  Ti59  1  0.837149  0.957550  0.683606  1
  Ti  Ti60  1  0.276460  0.071665  0.654985  1
  Ti  Ti61  1  0.464210  0.295966  0.718812  1
  Ti  Ti62  1  0.910200  0.415292  0.693636  1
  Ti  Ti63  1  0.189259  0.355005  0.706120  1
  Ti  Ti64  1  0.396157  0.842427  0.709166  1
  Ti  Ti65  1  0.669153  0.787927  0.720141  1
  Ti  Ti66  1  0.120628  0.895619  0.695812  1
