# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70300655
_cell_length_b   12.86370678
_cell_length_c   47.80639106
_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   2892.19569743
_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  0.752064  0.567442  0.309734  1
  Ti  Ti2  1  0.752064  0.354939  0.286419  1
  Ti  Ti3  1  0.752064  0.962017  0.298402  1
  Ti  Ti4  1  0.252064  0.701274  0.305704  1
  Ti  Ti5  1  0.252064  0.486434  0.282732  1
  Ti  Ti6  1  0.252064  0.096249  0.294281  1
  Ti  Ti7  1  0.752064  0.383955  0.346669  1
  Ti  Ti8  1  0.752064  0.171568  0.322364  1
  Ti  Ti9  1  0.752064  0.777704  0.334372  1
  Ti  Ti10  1  0.252064  0.516555  0.342457  1
  Ti  Ti11  1  0.252064  0.305084  0.318449  1
  Ti  Ti12  1  0.252064  0.911516  0.330228  1
  Ti  Ti13  1  0.752064  0.199574  0.383841  1
  Ti  Ti14  1  0.752064  0.988505  0.359011  1
  Ti  Ti15  1  0.752064  0.594511  0.371244  1
  Ti  Ti16  1  0.252064  0.331880  0.379698  1
  Ti  Ti17  1  0.252064  0.120738  0.354962  1
  Ti  Ti18  1  0.252064  0.726847  0.366992  1
  Ti  Ti19  1  0.752064  0.015297  0.420935  1
  Ti  Ti20  1  0.752064  0.804674  0.396111  1
  Ti  Ti21  1  0.752064  0.410316  0.408570  1
  Ti  Ti22  1  0.252064  0.147582  0.416808  1
  Ti  Ti23  1  0.252064  0.936884  0.391999  1
  Ti  Ti24  1  0.252064  0.542616  0.404309  1
  Ti  Ti25  1  0.752064  0.831138  0.458051  1
  Ti  Ti26  1  0.752064  0.620666  0.433279  1
  Ti  Ti27  1  0.752064  0.225985  0.445721  1
  Ti  Ti28  1  0.252064  0.963408  0.453903  1
  Ti  Ti29  1  0.252064  0.752898  0.429073  1
  Ti  Ti30  1  0.252064  0.358275  0.441528  1
  Ti  Ti31  1  0.752064  0.646987  0.495212  1
  Ti  Ti32  1  0.752064  0.436515  0.470479  1
  Ti  Ti33  1  0.752064  0.041740  0.482840  1
  Ti  Ti34  1  0.252064  0.779243  0.491014  1
  Ti  Ti35  1  0.252064  0.568764  0.466246  1
  Ti  Ti36  1  0.252064  0.174022  0.478683  1
  Ti  Ti37  1  0.752064  0.462791  0.532400  1
  Ti  Ti38  1  0.752064  0.252312  0.507632  1
  Ti  Ti39  1  0.752064  0.857533  0.519963  1
  Ti  Ti40  1  0.252064  0.595040  0.528167  1
  Ti  Ti41  1  0.252064  0.384568  0.503434  1
  Ti  Ti42  1  0.252064  0.989815  0.515806  1
  Ti  Ti43  1  0.752064  0.278657  0.569573  1
  Ti  Ti44  1  0.752064  0.068147  0.544743  1
  Ti  Ti45  1  0.752064  0.673280  0.557118  1
  Ti  Ti46  1  0.252064  0.410889  0.565368  1
  Ti  Ti47  1  0.252064  0.200417  0.540596  1
  Ti  Ti48  1  0.252064  0.805570  0.552925  1
  Ti  Ti49  1  0.752064  0.094671  0.606648  1
  Ti  Ti50  1  0.752064  0.883973  0.581838  1
  Ti  Ti51  1  0.752064  0.488939  0.594337  1
  Ti  Ti52  1  0.252064  0.226881  0.602535  1
  Ti  Ti53  1  0.252064  0.016258  0.577712  1
  Ti  Ti54  1  0.252064  0.621239  0.590076  1
  Ti  Ti55  1  0.752064  0.910817  0.643684  1
  Ti  Ti56  1  0.752064  0.699675  0.618948  1
  Ti  Ti57  1  0.752064  0.304708  0.631654  1
  Ti  Ti58  1  0.252064  0.043050  0.639635  1
  Ti  Ti59  1  0.252064  0.831981  0.614805  1
  Ti  Ti60  1  0.252064  0.437044  0.627402  1
  Ti  Ti61  1  0.752064  0.726471  0.680197  1
  Ti  Ti62  1  0.752064  0.515000  0.656189  1
  Ti  Ti63  1  0.752064  0.120039  0.668419  1
  Ti  Ti64  1  0.252064  0.859987  0.676283  1
  Ti  Ti65  1  0.252064  0.647600  0.651977  1
  Ti  Ti66  1  0.252064  0.253851  0.664274  1
  Ti  Ti67  1  0.752064  0.545121  0.715914  1
  Ti  Ti68  1  0.752064  0.330281  0.692942  1
  Ti  Ti69  1  0.752064  0.935306  0.704366  1
  Ti  Ti70  1  0.252064  0.676616  0.712227  1
  Ti  Ti71  1  0.252064  0.464113  0.688913  1
  Ti  Ti72  1  0.252064  0.069538  0.700245  1
