# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.36263290
_cell_length_b   5.35697604
_cell_length_c   48.83358909
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.32311027
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti81
_cell_volume   3191.34870764
_cell_formula_units_Z   81
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  0.122420  0.555945  0.276059  1
  Ti  Ti2  1  0.469006  0.276873  0.288413  1
  Ti  Ti3  1  0.790180  0.024868  0.303145  1
  Ti  Ti4  1  0.247228  0.270280  0.307747  1
  Ti  Ti5  1  0.564468  0.800577  0.281110  1
  Ti  Ti6  1  0.905108  0.525537  0.294173  1
  Ti  Ti7  1  0.343727  0.781000  0.298705  1
  Ti  Ti8  1  0.688089  0.521103  0.314271  1
  Ti  Ti9  1  0.018509  0.031133  0.284245  1
  Ti  Ti10  1  0.135224  0.802445  0.325096  1
  Ti  Ti11  1  0.475606  0.547179  0.337527  1
  Ti  Ti12  1  0.816006  0.306401  0.353801  1
  Ti  Ti13  1  0.263179  0.550175  0.359314  1
  Ti  Ti14  1  0.579956  0.046039  0.330192  1
  Ti  Ti15  1  0.920201  0.808578  0.343109  1
  Ti  Ti16  1  0.364453  0.053309  0.349536  1
  Ti  Ti17  1  0.709983  0.807663  0.365042  1
  Ti  Ti18  1  0.034381  0.301369  0.332908  1
  Ti  Ti19  1  0.153377  0.072532  0.373676  1
  Ti  Ti20  1  0.496095  0.823688  0.387705  1
  Ti  Ti21  1  0.832397  0.578557  0.404690  1
  Ti  Ti22  1  0.282054  0.831055  0.409848  1
  Ti  Ti23  1  0.601280  0.325931  0.378149  1
  Ti  Ti24  1  0.938670  0.076296  0.393804  1
  Ti  Ti25  1  0.386187  0.330791  0.399690  1
  Ti  Ti26  1  0.725925  0.082763  0.415577  1
  Ti  Ti27  1  0.047492  0.573005  0.382662  1
  Ti  Ti28  1  0.172628  0.346315  0.422695  1
  Ti  Ti29  1  0.512808  0.095945  0.438088  1
  Ti  Ti30  1  0.851450  0.854961  0.454939  1
  Ti  Ti31  1  0.298830  0.106414  0.460224  1
  Ti  Ti32  1  0.618423  0.594348  0.427952  1
  Ti  Ti33  1  0.958493  0.351358  0.443952  1
  Ti  Ti34  1  0.404233  0.603965  0.449916  1
  Ti  Ti35  1  0.744936  0.358178  0.465770  1
  Ti  Ti36  1  0.066978  0.847117  0.432797  1
  Ti  Ti37  1  0.190920  0.617579  0.472502  1
  Ti  Ti38  1  0.531215  0.370267  0.488253  1
  Ti  Ti39  1  0.869955  0.129514  0.505204  1
  Ti  Ti40  1  0.316769  0.380281  0.510428  1
  Ti  Ti41  1  0.636923  0.868220  0.477838  1
  Ti  Ti42  1  0.977350  0.625064  0.494130  1
  Ti  Ti43  1  0.422447  0.878244  0.500008  1
  Ti  Ti44  1  0.763681  0.632469  0.515707  1
  Ti  Ti45  1  0.084728  0.120606  0.483029  1
  Ti  Ti46  1  0.208801  0.890533  0.522557  1
  Ti  Ti47  1  0.550244  0.645773  0.538238  1
  Ti  Ti48  1  0.886936  0.401660  0.555499  1
  Ti  Ti49  1  0.336015  0.655346  0.560249  1
  Ti  Ti50  1  0.655683  0.143467  0.527948  1
  Ti  Ti51  1  0.995366  0.897476  0.544389  1
  Ti  Ti52  1  0.441571  0.153775  0.550089  1
  Ti  Ti53  1  0.781235  0.902513  0.565578  1
  Ti  Ti54  1  0.102427  0.393768  0.533383  1
  Ti  Ti55  1  0.228437  0.167079  0.572695  1
  Ti  Ti56  1  0.567736  0.917985  0.588515  1
  Ti  Ti57  1  0.906732  0.676236  0.605575  1
  Ti  Ti58  1  0.352812  0.923161  0.610089  1
  Ti  Ti59  1  0.671851  0.417724  0.578375  1
  Ti  Ti60  1  0.015600  0.173240  0.594500  1
  Ti  Ti61  1  0.457903  0.425257  0.600530  1
  Ti  Ti62  1  0.800701  0.176684  0.614571  1
  Ti  Ti63  1  0.122038  0.670941  0.583588  1
  Ti  Ti64  1  0.244163  0.441662  0.623285  1
  Ti  Ti65  1  0.589528  0.195521  0.638666  1
  Ti  Ti66  1  0.919904  0.948137  0.655306  1
  Ti  Ti67  1  0.374126  0.202480  0.658096  1
  Ti  Ti68  1  0.690834  0.698676  0.628872  1
  Ti  Ti69  1  0.034024  0.440964  0.645182  1
  Ti  Ti70  1  0.478312  0.701657  0.650727  1
  Ti  Ti71  1  0.818931  0.447176  0.663122  1
  Ti  Ti72  1  0.138324  0.942982  0.634490  1
  Ti  Ti73  1  0.265998  0.727910  0.674100  1
  Ti  Ti74  1  0.610395  0.468026  0.689488  1
  Ti  Ti75  1  0.935372  0.217927  0.704003  1
  Ti  Ti76  1  0.389776  0.448121  0.707155  1
  Ti  Ti77  1  0.707029  0.978843  0.680406  1
  Ti  Ti78  1  0.048790  0.723746  0.694133  1
  Ti  Ti79  1  0.485352  0.971823  0.699822  1
  Ti  Ti80  1  0.831411  0.693177  0.712200  1
  Ti  Ti81  1  0.163845  0.224173  0.685165  1
