# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08928226
_cell_length_b   13.06891487
_cell_length_c   51.78905146
_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   Ti72
_cell_volume   2767.73544015
_cell_formula_units_Z   72
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  0.507317  0.249485  0.321187  1
  Ti  Ti2  1  0.507317  0.948223  0.294002  1
  Ti  Ti3  1  0.507317  0.651970  0.272321  1
  Ti  Ti4  1  1.007317  0.097301  0.307786  1
  Ti  Ti5  1  1.007317  0.799849  0.282795  1
  Ti  Ti6  1  1.007317  0.398205  0.333341  1
  Ti  Ti7  1  1.007317  0.299849  0.282795  1
  Ti  Ti8  1  1.007317  0.898205  0.333341  1
  Ti  Ti9  1  1.007317  0.597301  0.307786  1
  Ti  Ti10  1  0.507317  0.151970  0.272321  1
  Ti  Ti11  1  0.507317  0.749485  0.321187  1
  Ti  Ti12  1  0.507317  0.448223  0.294002  1
  Ti  Ti13  1  0.507317  0.146274  0.397458  1
  Ti  Ti14  1  0.507317  0.847508  0.372007  1
  Ti  Ti15  1  0.507317  0.547333  0.345785  1
  Ti  Ti16  1  1.007317  0.996913  0.384627  1
  Ti  Ti17  1  1.007317  0.697243  0.358994  1
  Ti  Ti18  1  1.007317  0.296042  0.410438  1
  Ti  Ti19  1  1.007317  0.197243  0.358994  1
  Ti  Ti20  1  1.007317  0.796042  0.410438  1
  Ti  Ti21  1  1.007317  0.496913  0.384627  1
  Ti  Ti22  1  0.507317  0.047333  0.345785  1
  Ti  Ti23  1  0.507317  0.646274  0.397458  1
  Ti  Ti24  1  0.507317  0.347508  0.372007  1
  Ti  Ti25  1  0.507317  0.044233  0.474737  1
  Ti  Ti26  1  0.507317  0.744910  0.448986  1
  Ti  Ti27  1  0.507317  0.445805  0.423317  1
  Ti  Ti28  1  1.007317  0.894577  0.461879  1
  Ti  Ti29  1  1.007317  0.595335  0.436117  1
  Ti  Ti30  1  1.007317  0.193843  0.487593  1
  Ti  Ti31  1  1.007317  0.095335  0.436117  1
  Ti  Ti32  1  1.007317  0.693843  0.487593  1
  Ti  Ti33  1  1.007317  0.394577  0.461879  1
  Ti  Ti34  1  0.507317  0.945805  0.423317  1
  Ti  Ti35  1  0.507317  0.544233  0.474737  1
  Ti  Ti36  1  0.507317  0.244910  0.448986  1
  Ti  Ti37  1  0.507317  0.941959  0.551942  1
  Ti  Ti38  1  0.507317  0.642716  0.526179  1
  Ti  Ti39  1  0.507317  0.343451  0.500466  1
  Ti  Ti40  1  1.007317  0.792384  0.539073  1
  Ti  Ti41  1  1.007317  0.493060  0.513321  1
  Ti  Ti42  1  1.007317  0.091489  0.564742  1
  Ti  Ti43  1  1.007317  0.993060  0.513321  1
  Ti  Ti44  1  1.007317  0.591489  0.564742  1
  Ti  Ti45  1  1.007317  0.292384  0.539073  1
  Ti  Ti46  1  0.507317  0.843451  0.500466  1
  Ti  Ti47  1  0.507317  0.441959  0.551942  1
  Ti  Ti48  1  0.507317  0.142716  0.526179  1
  Ti  Ti49  1  0.507317  0.840051  0.629065  1
  Ti  Ti50  1  0.507317  0.540381  0.603431  1
  Ti  Ti51  1  0.507317  0.241252  0.577621  1
  Ti  Ti52  1  1.007317  0.689786  0.616051  1
  Ti  Ti53  1  1.007317  0.391020  0.590601  1
  Ti  Ti54  1  1.007317  0.989961  0.642273  1
  Ti  Ti55  1  1.007317  0.891020  0.590601  1
  Ti  Ti56  1  1.007317  0.489961  0.642273  1
  Ti  Ti57  1  1.007317  0.189786  0.616051  1
  Ti  Ti58  1  0.507317  0.741252  0.577621  1
  Ti  Ti59  1  0.507317  0.340051  0.629065  1
  Ti  Ti60  1  0.507317  0.040381  0.603431  1
  Ti  Ti61  1  0.507317  0.737445  0.705264  1
  Ti  Ti62  1  0.507317  0.439993  0.680272  1
  Ti  Ti63  1  0.507317  0.139089  0.654718  1
  Ti  Ti64  1  1.007317  0.589071  0.694056  1
  Ti  Ti65  1  1.007317  0.287809  0.666872  1
  Ti  Ti66  1  1.007317  0.885323  0.715738  1
  Ti  Ti67  1  1.007317  0.787809  0.666872  1
  Ti  Ti68  1  1.007317  0.385323  0.715738  1
  Ti  Ti69  1  1.007317  0.089071  0.694056  1
  Ti  Ti70  1  0.507317  0.639089  0.654718  1
  Ti  Ti71  1  0.507317  0.237445  0.705264  1
  Ti  Ti72  1  0.507317  0.939993  0.680272  1
