# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84417618
_cell_length_b   16.57952708
_cell_length_c   46.80943812
_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   Ti54
_cell_volume   2207.30354968
_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  0.068503  0.762786  0.334041  1
  Ti  Ti2  1  0.036852  0.494884  0.312279  1
  Ti  Ti3  1  0.958824  0.217961  0.293725  1
  Ti  Ti4  1  0.264374  0.608015  0.353294  1
  Ti  Ti5  1  0.418083  0.340766  0.325855  1
  Ti  Ti6  1  0.398033  0.069240  0.303909  1
  Ti  Ti7  1  0.606732  0.643278  0.300627  1
  Ti  Ti8  1  0.549023  0.184267  0.345247  1
  Ti  Ti9  1  0.658647  0.914751  0.321042  1
  Ti  Ti10  1  0.964401  0.570500  0.408527  1
  Ti  Ti11  1  0.005943  0.301420  0.380988  1
  Ti  Ti12  1  0.997453  0.034623  0.357990  1
  Ti  Ti13  1  0.327026  0.416449  0.422019  1
  Ti  Ti14  1  0.290728  0.146380  0.400855  1
  Ti  Ti15  1  0.300189  0.879776  0.375034  1
  Ti  Ti16  1  0.662238  0.457041  0.366574  1
  Ti  Ti17  1  0.668763  0.993772  0.414397  1
  Ti  Ti18  1  0.673133  0.726225  0.389525  1
  Ti  Ti19  1  0.014065  0.378027  0.478052  1
  Ti  Ti20  1  0.971493  0.107955  0.455978  1
  Ti  Ti21  1  0.994217  0.839387  0.430777  1
  Ti  Ti22  1  0.336652  0.223552  0.494728  1
  Ti  Ti23  1  0.334322  0.954774  0.470567  1
  Ti  Ti24  1  0.344563  0.686242  0.446398  1
  Ti  Ti25  1  0.672620  0.263281  0.438175  1
  Ti  Ti26  1  0.677735  0.801200  0.486442  1
  Ti  Ti27  1  0.640447  0.530268  0.463632  1
  Ti  Ti28  1  0.999307  0.183958  0.551200  1
  Ti  Ti29  1  0.009273  0.915711  0.526875  1
  Ti  Ti30  1  1.001629  0.646222  0.502572  1
  Ti  Ti31  1  0.344968  0.030597  0.567075  1
  Ti  Ti32  1  0.357848  0.761744  0.541738  1
  Ti  Ti33  1  0.325702  0.491895  0.519403  1
  Ti  Ti34  1  0.658476  0.068952  0.511399  1
  Ti  Ti35  1  0.668884  0.606916  0.559099  1
  Ti  Ti36  1  0.696510  0.339273  0.533686  1
  Ti  Ti37  1  0.028548  0.990711  0.622587  1
  Ti  Ti38  1  0.044956  0.722861  0.597074  1
  Ti  Ti39  1  0.005457  0.453136  0.575270  1
  Ti  Ti40  1  0.339913  0.836589  0.639056  1
  Ti  Ti41  1  0.336453  0.567316  0.615949  1
  Ti  Ti42  1  0.378087  0.300229  0.589001  1
  Ti  Ti43  1  0.674826  0.875965  0.582881  1
  Ti  Ti44  1  0.686272  0.412771  0.631213  1
  Ti  Ti45  1  0.666340  0.144641  0.608113  1
  Ti  Ti46  1  0.969035  0.798746  0.693268  1
  Ti  Ti47  1  0.945362  0.530578  0.671475  1
  Ti  Ti48  1  0.091896  0.261648  0.644339  1
  Ti  Ti49  1  0.401179  0.650571  0.704874  1
  Ti  Ti50  1  0.305968  0.375631  0.685360  1
  Ti  Ti51  1  0.276161  0.106267  0.663664  1
  Ti  Ti52  1  0.746011  0.685564  0.652296  1
  Ti  Ti53  1  0.735873  0.226936  0.696711  1
  Ti  Ti54  1  0.682139  0.953542  0.676741  1
