# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.50687536
_cell_length_b   5.57242368
_cell_length_c   46.69773729
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.67005436
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti66
_cell_volume   2546.81258823
_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  0.052477  0.052381  0.300908  1
  Ti  Ti2  1  0.497848  0.156056  0.277290  1
  Ti  Ti3  1  0.774157  0.105868  0.288125  1
  Ti  Ti4  1  0.983496  0.593317  0.290887  1
  Ti  Ti5  1  0.263513  0.537595  0.303359  1
  Ti  Ti6  1  0.703965  0.650651  0.278695  1
  Ti  Ti7  1  0.893398  0.885305  0.343136  1
  Ti  Ti8  1  0.332791  0.992347  0.314433  1
  Ti  Ti9  1  0.614463  0.941388  0.330452  1
  Ti  Ti10  1  0.825302  0.428917  0.332529  1
  Ti  Ti11  1  0.105062  0.373872  0.345703  1
  Ti  Ti12  1  0.543594  0.489790  0.318277  1
  Ti  Ti13  1  0.732456  0.721255  0.385263  1
  Ti  Ti14  1  0.172465  0.830466  0.356444  1
  Ti  Ti15  1  0.451198  0.776977  0.370930  1
  Ti  Ti16  1  0.664062  0.267520  0.373816  1
  Ti  Ti17  1  0.944821  0.209476  0.387623  1
  Ti  Ti18  1  0.383533  0.320468  0.359107  1
  Ti  Ti19  1  0.571040  0.557183  0.426748  1
  Ti  Ti20  1  0.012152  0.665975  0.398685  1
  Ti  Ti21  1  0.291383  0.611186  0.412458  1
  Ti  Ti22  1  0.503272  0.101805  0.415227  1
  Ti  Ti23  1  0.783572  0.046522  0.429414  1
  Ti  Ti24  1  0.223854  0.155330  0.401307  1
  Ti  Ti25  1  0.410557  0.391818  0.468385  1
  Ti  Ti26  1  0.851394  0.501567  0.440669  1
  Ti  Ti27  1  0.131017  0.446640  0.454429  1
  Ti  Ti28  1  0.342902  0.936199  0.457083  1
  Ti  Ti29  1  0.622752  0.881743  0.471091  1
  Ti  Ti30  1  0.063487  0.990657  0.443260  1
  Ti  Ti31  1  0.249960  0.227114  0.510180  1
  Ti  Ti32  1  0.690458  0.337146  0.482454  1
  Ti  Ti33  1  0.970288  0.282185  0.496323  1
  Ti  Ti34  1  0.182313  0.771468  0.498966  1
  Ti  Ti35  1  0.462144  0.716507  0.512834  1
  Ti  Ti36  1  0.902642  0.826539  0.485108  1
  Ti  Ti37  1  0.089114  0.062996  0.552028  1
  Ti  Ti38  1  0.529850  0.171910  0.524197  1
  Ti  Ti39  1  0.809700  0.117454  0.538205  1
  Ti  Ti40  1  0.021585  0.607014  0.540860  1
  Ti  Ti41  1  0.301207  0.552086  0.554619  1
  Ti  Ti42  1  0.742045  0.661836  0.526903  1
  Ti  Ti43  1  0.928748  0.898323  0.593981  1
  Ti  Ti44  1  0.369030  0.007131  0.565874  1
  Ti  Ti45  1  0.649330  0.951848  0.580061  1
  Ti  Ti46  1  0.861218  0.442467  0.582831  1
  Ti  Ti47  1  0.140450  0.387678  0.596603  1
  Ti  Ti48  1  0.581562  0.496470  0.568541  1
  Ti  Ti49  1  0.769069  0.733185  0.636182  1
  Ti  Ti50  1  0.207781  0.844177  0.607665  1
  Ti  Ti51  1  0.488539  0.786133  0.621473  1
  Ti  Ti52  1  0.701403  0.276676  0.624359  1
  Ti  Ti53  1  0.980137  0.223187  0.638844  1
  Ti  Ti54  1  0.420146  0.332398  0.610025  1
  Ti  Ti55  1  0.609008  0.563863  0.677011  1
  Ti  Ti56  1  0.047540  0.679781  0.649585  1
  Ti  Ti57  1  0.327300  0.624736  0.662759  1
  Ti  Ti58  1  0.538139  0.112265  0.664837  1
  Ti  Ti59  1  0.819810  0.061306  0.680855  1
  Ti  Ti60  1  0.259204  0.168348  0.652152  1
  Ti  Ti61  1  0.448637  0.403002  0.716593  1
  Ti  Ti62  1  0.889088  0.516058  0.691929  1
  Ti  Ti63  1  0.169105  0.460336  0.704401  1
  Ti  Ti64  1  0.378445  0.947785  0.707164  1
  Ti  Ti65  1  0.654753  0.897598  0.717998  1
  Ti  Ti66  1  0.100125  1.001272  0.694380  1
