# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87830546
_cell_length_b   20.18248975
_cell_length_c   50.02211456
_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   2905.85318974
_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  0.001323  0.283144  0.319879  1
  Ti  Ti2  1  1.001323  0.066622  0.283631  1
  Ti  Ti3  1  0.001323  0.676743  0.302000  1
  Ti  Ti4  1  0.501323  0.153890  0.320368  1
  Ti  Ti5  1  0.501323  0.939750  0.285225  1
  Ti  Ti6  1  0.501323  0.546919  0.303164  1
  Ti  Ti7  1  0.501323  0.018525  0.329752  1
  Ti  Ti8  1  0.501323  0.803582  0.291184  1
  Ti  Ti9  1  0.501323  0.410433  0.309403  1
  Ti  Ti10  1  0.001323  0.098332  0.371567  1
  Ti  Ti11  1  0.001323  0.886403  0.334418  1
  Ti  Ti12  1  1.001323  0.491806  0.352700  1
  Ti  Ti13  1  0.501323  0.965703  0.378523  1
  Ti  Ti14  1  0.501323  0.756271  0.341966  1
  Ti  Ti15  1  0.501323  0.361983  0.360102  1
  Ti  Ti16  1  0.501323  0.834488  0.384909  1
  Ti  Ti17  1  0.501323  0.622420  0.348180  1
  Ti  Ti18  1  0.501323  0.228218  0.366253  1
  Ti  Ti19  1  0.001323  0.913336  0.428015  1
  Ti  Ti20  1  1.001323  0.702623  0.391131  1
  Ti  Ti21  1  0.001323  0.308136  0.409349  1
  Ti  Ti22  1  0.501323  0.781799  0.434278  1
  Ti  Ti23  1  0.501323  0.570902  0.397252  1
  Ti  Ti24  1  0.501323  0.176512  0.415542  1
  Ti  Ti25  1  0.501323  0.649929  0.440517  1
  Ti  Ti26  1  0.501323  0.439751  0.403245  1
  Ti  Ti27  1  0.501323  0.044890  0.421523  1
  Ti  Ti28  1  0.001323  0.729033  0.483790  1
  Ti  Ti29  1  1.001323  0.518613  0.446648  1
  Ti  Ti30  1  0.001323  0.123816  0.464884  1
  Ti  Ti31  1  0.501323  0.597816  0.489970  1
  Ti  Ti32  1  0.501323  0.387275  0.452641  1
  Ti  Ti33  1  0.501323  0.992408  0.471022  1
  Ti  Ti34  1  0.501323  0.465943  0.496008  1
  Ti  Ti35  1  0.501323  0.255406  0.458765  1
  Ti  Ti36  1  0.501323  0.860535  0.477532  1
  Ti  Ti37  1  0.001323  0.545128  0.539402  1
  Ti  Ti38  1  0.001323  0.334478  0.502042  1
  Ti  Ti39  1  1.001323  0.939540  0.520603  1
  Ti  Ti40  1  0.501323  0.413585  0.545357  1
  Ti  Ti41  1  0.501323  0.202932  0.508110  1
  Ti  Ti42  1  0.501323  0.807944  0.526951  1
  Ti  Ti43  1  0.501323  0.281675  0.551401  1
  Ti  Ti44  1  0.501323  0.071032  0.514312  1
  Ti  Ti45  1  0.501323  0.676157  0.533435  1
  Ti  Ti46  1  0.001323  0.360722  0.594652  1
  Ti  Ti47  1  1.001323  0.150194  0.557466  1
  Ti  Ti48  1  0.001323  0.755130  0.576610  1
  Ti  Ti49  1  0.501323  0.229025  0.600736  1
  Ti  Ti50  1  0.501323  0.018665  0.563707  1
  Ti  Ti51  1  0.501323  0.624267  0.583088  1
  Ti  Ti52  1  0.501323  0.097945  0.606835  1
  Ti  Ti53  1  0.501323  0.886766  0.570135  1
  Ti  Ti54  1  0.501323  0.492574  0.588597  1
  Ti  Ti55  1  1.001323  0.177174  0.651327  1
  Ti  Ti56  1  1.001323  0.966119  0.613089  1
  Ti  Ti57  1  1.001323  0.570507  0.632901  1
  Ti  Ti58  1  0.501323  0.046785  0.655909  1
  Ti  Ti59  1  0.501323  0.833815  0.619466  1
  Ti  Ti60  1  0.501323  0.440422  0.637684  1
  Ti  Ti61  1  0.501323  0.912995  0.662186  1
  Ti  Ti62  1  0.501323  0.702365  0.626640  1
  Ti  Ti63  1  0.501323  0.306691  0.643820  1
  Ti  Ti64  1  0.001323  0.993164  0.702087  1
  Ti  Ti65  1  1.001323  0.783052  0.669809  1
  Ti  Ti66  1  1.001323  0.385353  0.683877  1
  Ti  Ti67  1  0.501323  0.867308  0.713157  1
  Ti  Ti68  1  0.501323  0.649492  0.675724  1
  Ti  Ti69  1  0.501323  0.258660  0.694607  1
  Ti  Ti70  1  0.501323  0.732764  0.718274  1
  Ti  Ti71  1  0.501323  0.514548  0.683127  1
  Ti  Ti72  1  0.501323  0.122478  0.700915  1
