# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61473331
_cell_length_b   12.63403993
_cell_length_c   49.97644094
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.38013527
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti72
_cell_volume   2863.85434357
_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  0.528741  0.957160  0.296383  1
  Ti  Ti2  1  0.193744  0.627761  0.312090  1
  Ti  Ti3  1  0.868994  0.276738  0.280004  1
  Ti  Ti4  1  0.641632  0.731418  0.291072  1
  Ti  Ti5  1  0.306413  0.402430  0.306388  1
  Ti  Ti6  1  0.964397  0.087005  0.323894  1
  Ti  Ti7  1  0.079742  0.855767  0.318150  1
  Ti  Ti8  1  0.755178  0.504359  0.284962  1
  Ti  Ti9  1  0.417550  0.180204  0.301463  1
  Ti  Ti10  1  0.506230  1.004015  0.350989  1
  Ti  Ti11  1  0.167216  0.682272  0.368317  1
  Ti  Ti12  1  0.847921  0.320149  0.333668  1
  Ti  Ti13  1  0.619308  0.777415  0.345482  1
  Ti  Ti14  1  0.280734  0.455183  0.362515  1
  Ti  Ti15  1  0.939243  0.138814  0.380638  1
  Ti  Ti16  1  0.053407  0.910251  0.374366  1
  Ti  Ti17  1  0.733211  0.549564  0.339404  1
  Ti  Ti18  1  0.393773  0.229136  0.356839  1
  Ti  Ti19  1  0.482972  0.052031  0.406478  1
  Ti  Ti20  1  0.143107  0.732220  0.424502  1
  Ti  Ti21  1  0.824256  0.368868  0.388628  1
  Ti  Ti22  1  0.596303  0.825181  0.400703  1
  Ti  Ti23  1  0.256581  0.504980  0.418602  1
  Ti  Ti24  1  0.915263  0.188207  0.436873  1
  Ti  Ti25  1  0.029308  0.959997  0.430562  1
  Ti  Ti26  1  0.709993  0.597473  0.394655  1
  Ti  Ti27  1  0.369912  0.278245  0.412582  1
  Ti  Ti28  1  0.459669  0.100089  0.462223  1
  Ti  Ti29  1  0.119434  0.781106  0.480480  1
  Ti  Ti30  1  0.800870  0.417124  0.444100  1
  Ti  Ti31  1  0.573178  0.872955  0.456321  1
  Ti  Ti32  1  0.232985  0.553850  0.474542  1
  Ti  Ti33  1  0.891678  0.236880  0.492797  1
  Ti  Ti34  1  1.005651  0.008793  0.486538  1
  Ti  Ti35  1  0.686919  0.645306  0.450270  1
  Ti  Ti36  1  0.346330  0.326895  0.468394  1
  Ti  Ti37  1  0.436205  0.148537  0.518068  1
  Ti  Ti38  1  0.096012  0.829432  0.536289  1
  Ti  Ti39  1  0.777512  0.465507  0.499813  1
  Ti  Ti40  1  0.549756  0.921281  0.512130  1
  Ti  Ti41  1  0.209521  0.602298  0.530387  1
  Ti  Ti42  1  0.868320  0.285263  0.548510  1
  Ti  Ti43  1  0.982271  0.057081  0.542340  1
  Ti  Ti44  1  0.663539  0.693594  0.506071  1
  Ti  Ti45  1  0.322860  0.375492  0.524216  1
  Ti  Ti46  1  0.412609  0.197407  0.574008  1
  Ti  Ti47  1  0.072887  0.877206  0.591907  1
  Ti  Ti48  1  0.753926  0.514180  0.555736  1
  Ti  Ti49  1  0.526083  0.970167  0.568107  1
  Ti  Ti50  1  0.186218  0.650356  0.586132  1
  Ti  Ti51  1  0.844934  0.333519  0.603982  1
  Ti  Ti52  1  0.959197  0.104914  0.597955  1
  Ti  Ti53  1  0.639881  0.742390  0.562048  1
  Ti  Ti54  1  0.299278  0.424142  0.580028  1
  Ti  Ti55  1  0.388456  0.247204  0.630095  1
  Ti  Ti56  1  0.049882  0.924972  0.647128  1
  Ti  Ti57  1  0.729947  0.563573  0.611972  1
  Ti  Ti58  1  0.501973  0.020115  0.624293  1
  Ti  Ti59  1  0.162960  0.698372  0.641621  1
  Ti  Ti60  1  0.821268  0.382238  0.658942  1
  Ti  Ti61  1  0.935979  0.152823  0.653205  1
  Ti  Ti62  1  0.615783  0.792136  0.618244  1
  Ti  Ti63  1  0.275417  0.473251  0.635771  1
  Ti  Ti64  1  0.362777  0.299957  0.686222  1
  Ti  Ti65  1  0.027557  0.970969  0.701538  1
  Ti  Ti66  1  0.704793  0.615382  0.668715  1
  Ti  Ti67  1  0.475446  0.074626  0.680520  1
  Ti  Ti68  1  0.140449  0.745227  0.696226  1
  Ti  Ti69  1  0.800196  0.425649  0.712606  1
  Ti  Ti70  1  0.914011  0.198028  0.707648  1
  Ti  Ti71  1  0.589448  0.846620  0.674460  1
  Ti  Ti72  1  0.251639  0.522183  0.691147  1
