# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94412951
_cell_length_b   12.28914334
_cell_length_c   52.93271664
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti48
_cell_volume   1915.14960062
_cell_formula_units_Z   48
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  1.059068  0.359598  0.277983  1
  Ti  Ti2  1  1.059068  0.139289  0.260834  1
  Ti  Ti3  1  0.059068  0.733678  0.255600  1
  Ti  Ti4  1  0.559068  0.193773  0.306485  1
  Ti  Ti5  1  0.559068  0.936227  0.257756  1
  Ti  Ti6  1  0.559068  0.563711  0.281361  1
  Ti  Ti7  1  0.059068  0.248973  0.352613  1
  Ti  Ti8  1  1.059068  -0.009766  0.303549  1
  Ti  Ti9  1  0.059068  0.618754  0.327747  1
  Ti  Ti10  1  0.559068  0.044997  0.349807  1
  Ti  Ti11  1  0.559068  0.786757  0.300841  1
  Ti  Ti12  1  0.559068  0.415291  0.324434  1
  Ti  Ti13  1  0.059068  0.099772  0.396139  1
  Ti  Ti14  1  0.059068  0.841161  0.346913  1
  Ti  Ti15  1  0.059068  0.470337  0.371035  1
  Ti  Ti16  1  0.559068  0.895840  0.393218  1
  Ti  Ti17  1  0.559068  0.673706  0.374327  1
  Ti  Ti18  1  0.559068  0.303497  0.399021  1
  Ti  Ti19  1  0.059068  0.950580  0.439582  1
  Ti  Ti20  1  1.059068  0.728636  0.420821  1
  Ti  Ti21  1  0.059068  0.358078  0.445449  1
  Ti  Ti22  1  0.559068  0.783393  0.467316  1
  Ti  Ti23  1  0.559068  0.525101  0.417597  1
  Ti  Ti24  1  0.559068  0.154323  0.442526  1
  Ti  Ti25  1  1.059068  0.838166  0.513831  1
  Ti  Ti26  1  0.059068  0.579874  0.464111  1
  Ti  Ti27  1  0.059068  0.208944  0.488902  1
  Ti  Ti28  1  0.559068  0.634631  0.510607  1
  Ti  Ti29  1  0.559068  0.412687  0.491846  1
  Ti  Ti30  1  0.559068  0.005189  0.485979  1
  Ti  Ti31  1  0.059068  0.689562  0.557101  1
  Ti  Ti32  1  0.059068  0.467427  0.538209  1
  Ti  Ti33  1  0.059068  0.059770  0.532406  1
  Ti  Ti34  1  0.559068  0.522106  0.584515  1
  Ti  Ti35  1  0.559068  0.263495  0.535289  1
  Ti  Ti36  1  0.559068  0.892930  0.560393  1
  Ti  Ti37  1  0.059068  0.576510  0.630587  1
  Ti  Ti38  1  1.059068  0.318271  0.581621  1
  Ti  Ti39  1  0.059068  0.947976  0.606994  1
  Ti  Ti40  1  0.559068  0.373033  0.627878  1
  Ti  Ti41  1  0.559068  0.114294  0.578814  1
  Ti  Ti42  1  0.559068  0.744513  0.603681  1
  Ti  Ti43  1  0.059068  0.427040  0.673672  1
  Ti  Ti44  1  1.059068  0.169494  0.624942  1
  Ti  Ti45  1  0.059068  0.799557  0.650067  1
  Ti  Ti46  1  0.559068  0.223978  0.670594  1
  Ti  Ti47  1  0.559068  0.003669  0.653445  1
  Ti  Ti48  1  0.559068  0.629589  0.675827  1
