# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88604223
_cell_length_b   9.29203018
_cell_length_c   47.26466213
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti64
_cell_volume   2452.40276955
_cell_formula_units_Z   64
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  0.934421  0.490958  0.274072  1
  Ti  Ti2  1  0.155501  0.932886  0.301305  1
  Ti  Ti3  1  0.267524  0.657099  0.316541  1
  Ti  Ti4  1  0.045594  0.213101  0.287206  1
  Ti  Ti5  1  0.767524  0.657099  0.316541  1
  Ti  Ti6  1  0.545594  0.213101  0.287206  1
  Ti  Ti7  1  0.434421  0.490958  0.274072  1
  Ti  Ti8  1  0.655501  0.932886  0.301305  1
  Ti  Ti9  1  0.378036  0.378127  0.330916  1
  Ti  Ti10  1  0.600479  0.823090  0.360111  1
  Ti  Ti11  1  0.711313  0.544789  0.374960  1
  Ti  Ti12  1  0.488829  0.099726  0.345100  1
  Ti  Ti13  1  0.211313  0.544789  0.374960  1
  Ti  Ti14  1  0.988829  0.099726  0.345100  1
  Ti  Ti15  1  0.878036  0.378127  0.330916  1
  Ti  Ti16  1  0.100479  0.823090  0.360111  1
  Ti  Ti17  1  0.822044  0.266278  0.389617  1
  Ti  Ti18  1  0.044412  0.711089  0.419158  1
  Ti  Ti19  1  0.155348  0.432996  0.433881  1
  Ti  Ti20  1  0.933317  0.988864  0.404361  1
  Ti  Ti21  1  0.655348  0.432996  0.433881  1
  Ti  Ti22  1  0.433317  0.988864  0.404361  1
  Ti  Ti23  1  0.322044  0.266278  0.389617  1
  Ti  Ti24  1  0.544412  0.711089  0.419158  1
  Ti  Ti25  1  0.266404  0.155144  0.448635  1
  Ti  Ti26  1  0.488508  0.599425  0.478138  1
  Ti  Ti27  1  0.599546  0.321536  0.492885  1
  Ti  Ti28  1  0.377489  0.877350  0.463397  1
  Ti  Ti29  1  0.099546  0.321536  0.492885  1
  Ti  Ti30  1  0.877489  0.877350  0.463397  1
  Ti  Ti31  1  0.766404  0.155144  0.448635  1
  Ti  Ti32  1  0.988508  0.599425  0.478138  1
  Ti  Ti33  1  0.710607  0.043694  0.507649  1
  Ti  Ti34  1  0.932664  0.487880  0.537137  1
  Ti  Ti35  1  0.043750  0.210086  0.551899  1
  Ti  Ti36  1  0.821645  0.765805  0.522396  1
  Ti  Ti37  1  0.543750  0.210086  0.551899  1
  Ti  Ti38  1  0.321645  0.765805  0.522396  1
  Ti  Ti39  1  0.210607  0.043694  0.507649  1
  Ti  Ti40  1  0.432664  0.487880  0.537137  1
  Ti  Ti41  1  0.154806  0.932234  0.566653  1
  Ti  Ti42  1  0.376836  0.376366  0.596173  1
  Ti  Ti43  1  0.488109  0.098952  0.610917  1
  Ti  Ti44  1  0.265742  0.654141  0.581376  1
  Ti  Ti45  1  0.988109  0.098952  0.610917  1
  Ti  Ti46  1  0.765742  0.654141  0.581376  1
  Ti  Ti47  1  0.654806  0.932234  0.566653  1
  Ti  Ti48  1  0.876836  0.376366  0.596173  1
  Ti  Ti49  1  0.598840  0.820441  0.625574  1
  Ti  Ti50  1  0.821324  0.265504  0.655434  1
  Ti  Ti51  1  0.932117  0.987103  0.669618  1
  Ti  Ti52  1  0.709674  0.542140  0.640423  1
  Ti  Ti53  1  0.432117  0.987103  0.669618  1
  Ti  Ti54  1  0.209674  0.542140  0.640423  1
  Ti  Ti55  1  0.098840  0.820441  0.625574  1
  Ti  Ti56  1  0.321324  0.265504  0.655434  1
  Ti  Ti57  1  0.042630  0.708131  0.683993  1
  Ti  Ti58  1  0.264559  0.152129  0.713328  1
  Ti  Ti59  1  0.375733  0.874272  0.726462  1
  Ti  Ti60  1  0.154653  0.432344  0.699229  1
  Ti  Ti61  1  0.875733  0.874272  0.726462  1
  Ti  Ti62  1  0.654653  0.432344  0.699229  1
  Ti  Ti63  1  0.542630  0.708131  0.683993  1
  Ti  Ti64  1  0.764559  0.152129  0.713328  1
