# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08031278
_cell_length_b   15.00234827
_cell_length_c   48.37988449
_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   2961.5394748
_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  0.508237  0.601700  0.337167  1
  Ti  Ti2  1  0.508237  0.374257  0.294255  1
  Ti  Ti3  1  0.508237  0.989909  0.314450  1
  Ti  Ti4  1  1.008237  0.489909  0.314450  1
  Ti  Ti5  1  1.008237  0.101700  0.337167  1
  Ti  Ti6  1  1.008237  0.874257  0.294255  1
  Ti  Ti7  1  1.008237  0.685325  0.304399  1
  Ti  Ti8  1  1.008237  0.297403  0.326437  1
  Ti  Ti9  1  1.008237  0.909843  0.350288  1
  Ti  Ti10  1  0.508237  0.409843  0.350288  1
  Ti  Ti11  1  0.508237  0.185325  0.304399  1
  Ti  Ti12  1  0.508237  0.797403  0.326437  1
  Ti  Ti13  1  0.508237  0.448212  0.409620  1
  Ti  Ti14  1  0.508237  0.217258  0.361304  1
  Ti  Ti15  1  0.508237  0.832666  0.385727  1
  Ti  Ti16  1  1.008237  0.332666  0.385727  1
  Ti  Ti17  1  1.008237  0.948212  0.409620  1
  Ti  Ti18  1  1.008237  0.717258  0.361304  1
  Ti  Ti19  1  1.008237  0.525296  0.373106  1
  Ti  Ti20  1  1.008237  0.140142  0.397172  1
  Ti  Ti21  1  1.008237  0.755420  0.421402  1
  Ti  Ti22  1  0.508237  0.255420  0.421402  1
  Ti  Ti23  1  0.508237  0.025296  0.373106  1
  Ti  Ti24  1  0.508237  0.640142  0.397172  1
  Ti  Ti25  1  0.508237  0.293418  0.481368  1
  Ti  Ti26  1  0.508237  0.063165  0.433284  1
  Ti  Ti27  1  0.508237  0.678215  0.457270  1
  Ti  Ti28  1  1.008237  0.178215  0.457270  1
  Ti  Ti29  1  1.008237  0.793418  0.481368  1
  Ti  Ti30  1  1.008237  0.563165  0.433284  1
  Ti  Ti31  1  1.008237  0.370711  0.445510  1
  Ti  Ti32  1  1.008237  0.985913  0.469392  1
  Ti  Ti33  1  1.008237  0.601015  0.493240  1
  Ti  Ti34  1  0.508237  0.101015  0.493240  1
  Ti  Ti35  1  0.508237  0.870711  0.445510  1
  Ti  Ti36  1  0.508237  0.485913  0.469392  1
  Ti  Ti37  1  0.508237  0.138897  0.553115  1
  Ti  Ti38  1  0.508237  0.908592  0.505385  1
  Ti  Ti39  1  0.508237  0.523694  0.529233  1
  Ti  Ti40  1  1.008237  0.023694  0.529233  1
  Ti  Ti41  1  1.008237  0.638897  0.553115  1
  Ti  Ti42  1  1.008237  0.408592  0.505385  1
  Ti  Ti43  1  1.008237  0.216189  0.517257  1
  Ti  Ti44  1  1.008237  0.831392  0.541355  1
  Ti  Ti45  1  1.008237  0.446442  0.565342  1
  Ti  Ti46  1  0.508237  0.946442  0.565342  1
  Ti  Ti47  1  0.508237  0.716189  0.517257  1
  Ti  Ti48  1  0.508237  0.331392  0.541355  1
  Ti  Ti49  1  0.508237  0.984311  0.625520  1
  Ti  Ti50  1  0.508237  0.754187  0.577223  1
  Ti  Ti51  1  0.508237  0.369465  0.601454  1
  Ti  Ti52  1  1.008237  0.869465  0.601454  1
  Ti  Ti53  1  1.008237  0.484311  0.625520  1
  Ti  Ti54  1  1.008237  0.254187  0.577223  1
  Ti  Ti55  1  1.008237  0.061395  0.589005  1
  Ti  Ti56  1  1.008237  0.676941  0.612899  1
  Ti  Ti57  1  1.008237  0.292349  0.637322  1
  Ti  Ti58  1  0.508237  0.792349  0.637322  1
  Ti  Ti59  1  0.508237  0.561395  0.589005  1
  Ti  Ti60  1  0.508237  0.176941  0.612899  1
  Ti  Ti61  1  0.508237  0.824282  0.694226  1
  Ti  Ti62  1  0.508237  0.599764  0.648337  1
  Ti  Ti63  1  0.508237  0.212204  0.672188  1
  Ti  Ti64  1  0.008237  0.712204  0.672188  1
  Ti  Ti65  1  1.008237  0.324282  0.694226  1
  Ti  Ti66  1  1.008237  0.099764  0.648337  1
  Ti  Ti67  1  1.008237  0.907907  0.661459  1
  Ti  Ti68  1  0.008237  0.519698  0.684176  1
  Ti  Ti69  1  1.008237  0.135350  0.704370  1
  Ti  Ti70  1  0.508237  0.635350  0.704370  1
  Ti  Ti71  1  0.508237  0.407907  0.661459  1
  Ti  Ti72  1  0.508237  0.019698  0.684176  1
