# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81557807
_cell_length_b   5.55944498
_cell_length_c   49.56714738
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.76956014
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti54
_cell_volume   2142.79612403
_cell_formula_units_Z   54
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  0.538715  0.061390  0.306267  1
  Ti  Ti2  1  0.891391  0.969781  0.323935  1
  Ti  Ti3  1  0.185806  0.142067  0.291378  1
  Ti  Ti4  1  0.431272  0.545551  0.309172  1
  Ti  Ti5  1  0.736878  0.719008  0.279672  1
  Ti  Ti6  1  0.081692  0.628732  0.293979  1
  Ti  Ti7  1  0.592917  0.783800  0.356133  1
  Ti  Ti8  1  0.943377  0.691552  0.373292  1
  Ti  Ti9  1  0.242045  0.874849  0.340206  1
  Ti  Ti10  1  0.485756  0.268890  0.359022  1
  Ti  Ti11  1  0.785120  0.447608  0.326425  1
  Ti  Ti12  1  0.136322  0.360297  0.343121  1
  Ti  Ti13  1  0.644818  0.508393  0.406686  1
  Ti  Ti14  1  0.995815  0.416311  0.423576  1
  Ti  Ti15  1  0.295075  0.599749  0.390168  1
  Ti  Ti16  1  0.537437  0.993062  0.409424  1
  Ti  Ti17  1  0.835833  0.176140  0.376372  1
  Ti  Ti18  1  0.186981  0.084453  0.392956  1
  Ti  Ti19  1  0.696870  0.232445  0.456948  1
  Ti  Ti20  1  0.047555  0.140497  0.473738  1
  Ti  Ti21  1  0.346515  0.324112  0.440310  1
  Ti  Ti22  1  0.589327  0.717409  0.459702  1
  Ti  Ti23  1  0.888083  0.900697  0.426333  1
  Ti  Ti24  1  0.238877  0.809105  0.443063  1
  Ti  Ti25  1  0.748687  0.956802  0.507168  1
  Ti  Ti26  1  0.099373  0.864931  0.523908  1
  Ti  Ti27  1  0.398209  0.048550  0.490493  1
  Ti  Ti28  1  0.641072  0.441736  0.509908  1
  Ti  Ti29  1  0.939908  0.625354  0.476493  1
  Ti  Ti30  1  0.290595  0.533483  0.493233  1
  Ti  Ti31  1  0.800405  0.681180  0.557338  1
  Ti  Ti32  1  0.151199  0.589588  0.574068  1
  Ti  Ti33  1  0.449955  0.772876  0.540699  1
  Ti  Ti34  1  0.692767  0.166174  0.560091  1
  Ti  Ti35  1  0.991727  0.349789  0.526663  1
  Ti  Ti36  1  0.342412  0.257840  0.543453  1
  Ti  Ti37  1  0.852301  0.405833  0.607445  1
  Ti  Ti38  1  0.203449  0.314145  0.624029  1
  Ti  Ti39  1  0.501844  0.497224  0.590977  1
  Ti  Ti40  1  0.744207  0.890536  0.610233  1
  Ti  Ti41  1  0.043466  0.073974  0.576825  1
  Ti  Ti42  1  0.394464  0.981892  0.593715  1
  Ti  Ti43  1  0.902960  0.129988  0.657280  1
  Ti  Ti44  1  0.254162  0.042677  0.673976  1
  Ti  Ti45  1  0.553526  0.221395  0.641379  1
  Ti  Ti46  1  0.797237  0.615436  0.660195  1
  Ti  Ti47  1  0.095905  0.798733  0.627109  1
  Ti  Ti48  1  0.446365  0.706486  0.644268  1
  Ti  Ti49  1  0.957590  0.861554  0.706422  1
  Ti  Ti50  1  0.302404  0.771277  0.720729  1
  Ti  Ti51  1  0.608010  0.944734  0.691229  1
  Ti  Ti52  1  0.853476  0.348218  0.709022  1
  Ti  Ti53  1  0.147891  0.520504  0.676466  1
  Ti  Ti54  1  0.500567  0.428895  0.694134  1
