# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92176016
_cell_length_b   14.54650447
_cell_length_c   45.08079371
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.77356156
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti48
_cell_volume   1906.27731839
_cell_formula_units_Z   48
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  0.962548  0.918602  0.301619  1
  Ti  Ti2  1  0.124944  0.243343  0.318168  1
  Ti  Ti3  1  0.800424  0.594513  0.283930  1
  Ti  Ti4  1  0.538828  0.071144  0.327947  1
  Ti  Ti5  1  0.215142  0.424182  0.292494  1
  Ti  Ti6  1  0.376910  0.747404  0.309923  1
  Ti  Ti7  1  0.447765  0.889062  0.356281  1
  Ti  Ti8  1  0.609355  0.212214  0.374079  1
  Ti  Ti9  1  0.285851  0.565311  0.338360  1
  Ti  Ti10  1  0.023477  0.040461  0.383823  1
  Ti  Ti11  1  0.700043  0.393773  0.347459  1
  Ti  Ti12  1  0.861844  0.717285  0.365636  1
  Ti  Ti13  1  0.932502  0.858550  0.411886  1
  Ti  Ti14  1  0.093991  0.181511  0.430186  1
  Ti  Ti15  1  0.770754  0.535078  0.393744  1
  Ti  Ti16  1  0.508119  0.009801  0.439884  1
  Ti  Ti17  1  0.184661  0.362936  0.403013  1
  Ti  Ti18  1  0.346482  0.686553  0.421573  1
  Ti  Ti19  1  0.417134  0.827816  0.467707  1
  Ti  Ti20  1  0.578673  0.150917  0.486208  1
  Ti  Ti21  1  0.255403  0.504374  0.449403  1
  Ti  Ti22  1  0.992725  0.979021  0.495860  1
  Ti  Ti23  1  0.669418  0.332440  0.458895  1
  Ti  Ti24  1  0.831040  0.655669  0.477487  1
  Ti  Ti25  1  0.901729  0.797011  0.523605  1
  Ti  Ti26  1  0.063351  0.120240  0.542196  1
  Ti  Ti27  1  0.740045  0.473659  0.505231  1
  Ti  Ti28  1  0.477366  0.948305  0.551688  1
  Ti  Ti29  1  0.154096  0.301763  0.514884  1
  Ti  Ti30  1  0.315636  0.624863  0.533384  1
  Ti  Ti31  1  0.386288  0.766127  0.579518  1
  Ti  Ti32  1  0.548108  0.089743  0.598078  1
  Ti  Ti33  1  0.224651  0.442878  0.561207  1
  Ti  Ti34  1  0.962016  0.917602  0.607347  1
  Ti  Ti35  1  0.638778  0.271168  0.570906  1
  Ti  Ti36  1  0.800268  0.594130  0.589205  1
  Ti  Ti37  1  0.870925  0.735395  0.635455  1
  Ti  Ti38  1  0.032726  0.058907  0.653632  1
  Ti  Ti39  1  0.709292  0.412218  0.617268  1
  Ti  Ti40  1  0.446918  0.887368  0.662731  1
  Ti  Ti41  1  0.123414  0.240466  0.627012  1
  Ti  Ti42  1  0.285004  0.563617  0.644810  1
  Ti  Ti43  1  0.355859  0.705275  0.691168  1
  Ti  Ti44  1  0.517627  0.028498  0.708597  1
  Ti  Ti45  1  0.193941  0.381536  0.673145  1
  Ti  Ti46  1  0.932345  0.858166  0.717162  1
  Ti  Ti47  1  0.607826  0.209337  0.682923  1
  Ti  Ti48  1  0.770221  0.534077  0.699473  1
