# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63839237
_cell_length_b   7.35442100
_cell_length_c   49.19514768
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.34456158
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti42
_cell_volume   1590.00622479
_cell_formula_units_Z   42
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  0.661543  0.569413  0.279423  1
  Ti  Ti2  1  0.492477  0.913794  0.309110  1
  Ti  Ti3  1  0.721128  0.460403  0.332679  1
  Ti  Ti4  1  0.883619  0.129509  0.297620  1
  Ti  Ti5  1  0.107210  0.685616  0.318037  1
  Ti  Ti6  1  0.275716  0.343103  0.287443  1
  Ti  Ti7  1  0.332035  0.240744  0.342926  1
  Ti  Ti8  1  0.167003  0.576217  0.375126  1
  Ti  Ti9  1  0.392610  0.128859  0.398403  1
  Ti  Ti10  1  0.555344  0.797890  0.364603  1
  Ti  Ti11  1  0.780840  0.350442  0.387623  1
  Ti  Ti12  1  0.944864  0.016872  0.353212  1
  Ti  Ti13  1  1.004280  0.907408  0.409297  1
  Ti  Ti14  1  0.840437  0.240659  0.443156  1
  Ti  Ti15  1  0.064470  0.796414  0.465244  1
  Ti  Ti16  1  0.227903  0.463796  0.431407  1
  Ti  Ti17  1  0.452433  0.018567  0.454127  1
  Ti  Ti18  1  0.615898  0.686030  0.420482  1
  Ti  Ti19  1  0.676209  0.574786  0.476399  1
  Ti  Ti20  1  0.512346  0.908138  0.509867  1
  Ti  Ti21  1  0.736543  0.463481  0.532298  1
  Ti  Ti22  1  0.900417  0.130120  0.498830  1
  Ti  Ti23  1  0.124597  0.685559  0.521220  1
  Ti  Ti24  1  0.288160  0.352696  0.487476  1
  Ti  Ti25  1  0.348291  0.241852  0.543454  1
  Ti  Ti26  1  0.184865  0.574463  0.577291  1
  Ti  Ti27  1  0.408480  0.130854  0.599400  1
  Ti  Ti28  1  0.572317  0.797600  0.565539  1
  Ti  Ti29  1  0.796851  0.352233  0.588211  1
  Ti  Ti30  1  0.960319  0.019691  0.554570  1
  Ti  Ti31  1  0.020148  0.909405  0.610291  1
  Ti  Ti32  1  0.857419  0.240368  0.644095  1
  Ti  Ti33  1  0.080723  0.797505  0.665773  1
  Ti  Ti34  1  0.245747  0.462049  0.633568  1
  Ti  Ti35  1  0.467912  0.021377  0.655481  1
  Ti  Ti36  1  0.631927  0.687801  0.621074  1
  Ti  Ti37  1  0.691639  0.577834  0.676017  1
  Ti  Ti38  1  0.529136  0.908754  0.711078  1
  Ti  Ti39  1  0.751218  0.468832  0.729271  1
  Ti  Ti40  1  0.920279  0.124452  0.699588  1
  Ti  Ti41  1  0.137068  0.695155  0.721253  1
  Ti  Ti42  1  0.305580  0.352635  0.690661  1
