# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.26734263
_cell_length_b   11.79273987
_cell_length_c   46.19222100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti120
_cell_volume   4643.69245423
_cell_formula_units_Z   120
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  0.801314  0.096490  0.291290  1
  Ti  Ti2  1  0.301314  0.096490  0.291290  1
  Ti  Ti3  1  0.370105  0.734329  0.302913  1
  Ti  Ti4  1  0.735036  0.463840  0.276866  1
  Ti  Ti5  1  0.870105  0.734329  0.302913  1
  Ti  Ti6  1  0.235036  0.463840  0.276866  1
  Ti  Ti7  1  0.619609  0.233257  0.303687  1
  Ti  Ti8  1  0.119609  0.233257  0.303687  1
  Ti  Ti9  1  0.185350  0.864961  0.318652  1
  Ti  Ti10  1  0.554173  0.602263  0.289189  1
  Ti  Ti11  1  0.685350  0.864961  0.318652  1
  Ti  Ti12  1  0.054173  0.602263  0.289189  1
  Ti  Ti13  1  0.004906  0.004162  0.331767  1
  Ti  Ti14  1  0.504906  0.004162  0.331767  1
  Ti  Ti15  1  0.573328  0.641140  0.349644  1
  Ti  Ti16  1  0.937882  0.369922  0.316808  1
  Ti  Ti17  1  0.073328  0.641140  0.349644  1
  Ti  Ti18  1  0.437882  0.369922  0.316808  1
  Ti  Ti19  1  0.824092  0.142654  0.349839  1
  Ti  Ti20  1  0.324092  0.142654  0.349839  1
  Ti  Ti21  1  0.391889  0.778396  0.363867  1
  Ti  Ti22  1  0.756428  0.507196  0.335166  1
  Ti  Ti23  1  0.891889  0.778396  0.363867  1
  Ti  Ti24  1  0.256428  0.507196  0.335166  1
  Ti  Ti25  1  0.209370  0.913452  0.379295  1
  Ti  Ti26  1  0.709370  0.913452  0.379295  1
  Ti  Ti27  1  0.778035  0.550892  0.395293  1
  Ti  Ti28  1  0.141719  0.278078  0.364087  1
  Ti  Ti29  1  0.278035  0.550892  0.395293  1
  Ti  Ti30  1  0.641719  0.278078  0.364087  1
  Ti  Ti31  1  0.027536  0.049894  0.393730  1
  Ti  Ti32  1  0.527536  0.049894  0.393730  1
  Ti  Ti33  1  0.596011  0.686918  0.410186  1
  Ti  Ti34  1  0.959109  0.412949  0.378943  1
  Ti  Ti35  1  0.096011  0.686918  0.410186  1
  Ti  Ti36  1  0.459109  0.412949  0.378943  1
  Ti  Ti37  1  0.414025  0.823058  0.424919  1
  Ti  Ti38  1  0.914025  0.823058  0.424919  1
  Ti  Ti39  1  0.981787  0.458599  0.440276  1
  Ti  Ti40  1  0.345556  0.185987  0.410279  1
  Ti  Ti41  1  0.481787  0.458599  0.440276  1
  Ti  Ti42  1  0.845556  0.185987  0.410279  1
  Ti  Ti43  1  0.231543  0.958152  0.440372  1
  Ti  Ti44  1  0.731543  0.958152  0.440372  1
  Ti  Ti45  1  0.800060  0.595229  0.455960  1
  Ti  Ti46  1  0.163739  0.322465  0.425124  1
  Ti  Ti47  1  0.300060  0.595229  0.455960  1
  Ti  Ti48  1  0.663739  0.322465  0.425124  1
  Ti  Ti49  1  0.617919  0.731025  0.470994  1
  Ti  Ti50  1  0.117919  0.731025  0.470994  1
  Ti  Ti51  1  0.185959  0.367175  0.486262  1
  Ti  Ti52  1  0.549746  0.094634  0.455267  1
  Ti  Ti53  1  0.685959  0.367175  0.486262  1
  Ti  Ti54  1  0.049746  0.094634  0.455267  1
  Ti  Ti55  1  0.435956  0.867127  0.485958  1
  Ti  Ti56  1  0.935956  0.867127  0.485958  1
  Ti  Ti57  1  0.004017  0.503331  0.501391  1
  Ti  Ti58  1  0.367881  0.230937  0.470985  1
  Ti  Ti59  1  0.504017  0.503331  0.501391  1
  Ti  Ti60  1  0.867881  0.230937  0.470985  1
  Ti  Ti61  1  0.821993  0.639360  0.516843  1
  Ti  Ti62  1  0.321993  0.639360  0.516843  1
  Ti  Ti63  1  0.390068  0.275550  0.531817  1
  Ti  Ti64  1  0.753931  1.003156  0.501410  1
  Ti  Ti65  1  0.890068  0.275550  0.531817  1
  Ti  Ti66  1  0.253931  1.003156  0.501410  1
  Ti  Ti67  1  0.640030  0.775462  0.531807  1
  Ti  Ti68  1  0.140030  0.775462  0.531807  1
  Ti  Ti69  1  0.208202  0.411853  0.547534  1
  Ti  Ti70  1  0.571989  0.139312  0.516539  1
  Ti  Ti71  1  0.708202  0.411853  0.547534  1
  Ti  Ti72  1  0.071989  0.139312  0.516539  1
  Ti  Ti73  1  0.026406  0.548335  0.562430  1
  Ti  Ti74  1  0.526406  0.548335  0.562430  1
  Ti  Ti75  1  0.594209  0.184022  0.577677  1
  Ti  Ti76  1  0.957888  0.911258  0.546841  1
  Ti  Ti77  1  0.094209  0.184022  0.577677  1
  Ti  Ti78  1  0.457888  0.911258  0.546841  1
  Ti  Ti79  1  0.843924  0.683429  0.577882  1
  Ti  Ti80  1  0.343924  0.683429  0.577882  1
  Ti  Ti81  1  0.412393  0.320500  0.592522  1
  Ti  Ti82  1  0.776161  0.047888  0.562525  1
  Ti  Ti83  1  0.912393  0.320500  0.592522  1
  Ti  Ti84  1  0.276161  0.047888  0.562525  1
  Ti  Ti85  1  0.230412  0.456593  0.609071  1
  Ti  Ti86  1  0.730412  0.456593  0.609071  1
  Ti  Ti87  1  0.798839  0.093538  0.623859  1
  Ti  Ti88  1  0.161937  0.819569  0.592616  1
  Ti  Ti89  1  0.298839  0.093538  0.623859  1
  Ti  Ti90  1  0.661937  0.819569  0.592616  1
  Ti  Ti91  1  0.048579  0.593035  0.623506  1
  Ti  Ti92  1  0.548579  0.593035  0.623506  1
  Ti  Ti93  1  0.616230  0.228409  0.638715  1
  Ti  Ti94  1  0.979913  0.955595  0.607508  1
  Ti  Ti95  1  0.116230  0.228409  0.638715  1
  Ti  Ti96  1  0.479913  0.955595  0.607508  1
  Ti  Ti97  1  0.433856  0.363833  0.652962  1
  Ti  Ti98  1  0.933856  0.363833  0.652962  1
  Ti  Ti99  1  1.001521  0.999291  0.667636  1
  Ti  Ti100  1  0.366060  0.728091  0.638934  1
  Ti  Ti101  1  0.501521  0.999291  0.667636  1
  Ti  Ti102  1  0.866060  0.728091  0.638934  1
  Ti  Ti103  1  0.253042  0.502325  0.671034  1
  Ti  Ti104  1  0.753042  0.502325  0.671034  1
  Ti  Ti105  1  0.820066  0.136565  0.685994  1
  Ti  Ti106  1  0.184620  0.865347  0.653157  1
  Ti  Ti107  1  0.320066  0.136565  0.685994  1
  Ti  Ti108  1  0.684620  0.865347  0.653157  1
  Ti  Ti109  1  0.638340  0.273230  0.699115  1
  Ti  Ti110  1  0.138340  0.273230  0.699115  1
  Ti  Ti111  1  0.203776  0.904224  0.713612  1
  Ti  Ti112  1  0.572598  0.641526  0.684150  1
  Ti  Ti113  1  0.703776  0.904224  0.713612  1
  Ti  Ti114  1  0.072598  0.641526  0.684150  1
  Ti  Ti115  1  0.456634  0.409997  0.711511  1
  Ti  Ti116  1  0.956634  0.409997  0.711511  1
  Ti  Ti117  1  0.022913  0.042647  0.725936  1
  Ti  Ti118  1  0.387843  0.772158  0.699889  1
  Ti  Ti119  1  0.522913  0.042647  0.725936  1
  Ti  Ti120  1  0.887843  0.772158  0.699889  1
