# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94332290
_cell_length_b   12.19455126
_cell_length_c   52.77777488
_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   Ti48
_cell_volume   1894.32638797
_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  1.057889  0.348988  0.278705  1
  Ti  Ti2  1  1.057889  0.130116  0.261527  1
  Ti  Ti3  1  1.057889  0.724796  0.255966  1
  Ti  Ti4  1  0.557889  0.186676  0.306568  1
  Ti  Ti5  1  0.557889  0.926053  0.258238  1
  Ti  Ti6  1  0.557889  0.555261  0.281698  1
  Ti  Ti7  1  1.057889  0.245297  0.352724  1
  Ti  Ti8  1  1.057889  0.982520  0.303117  1
  Ti  Ti9  1  1.057889  0.612190  0.327688  1
  Ti  Ti10  1  0.557889  0.039731  0.349758  1
  Ti  Ti11  1  0.557889  0.777183  0.300177  1
  Ti  Ti12  1  0.557889  0.409084  0.324096  1
  Ti  Ti13  1  0.057889  0.097743  0.396202  1
  Ti  Ti14  1  1.057889  0.834821  0.346595  1
  Ti  Ti15  1  1.057889  0.466975  0.370982  1
  Ti  Ti16  1  0.557889  0.892565  0.393133  1
  Ti  Ti17  1  0.557889  0.670192  0.374385  1
  Ti  Ti18  1  0.557889  0.302760  0.399225  1
  Ti  Ti19  1  1.057889  0.950379  0.439648  1
  Ti  Ti20  1  0.057889  0.727994  0.421016  1
  Ti  Ti21  1  1.057889  0.360374  0.445754  1
  Ti  Ti22  1  0.557889  0.785861  0.467621  1
  Ti  Ti23  1  0.557889  0.524770  0.417681  1
  Ti  Ti24  1  0.557889  0.155396  0.442710  1
  Ti  Ti25  1  0.057889  0.843672  0.514257  1
  Ti  Ti26  1  0.057889  0.582580  0.464317  1
  Ti  Ti27  1  1.057889  0.213045  0.489228  1
  Ti  Ti28  1  0.557889  0.640448  0.510922  1
  Ti  Ti29  1  0.557889  0.418063  0.492290  1
  Ti  Ti30  1  0.557889  0.008068  0.486184  1
  Ti  Ti31  1  1.057889  0.698250  0.557553  1
  Ti  Ti32  1  1.057889  0.475877  0.538805  1
  Ti  Ti33  1  1.057889  0.065681  0.532713  1
  Ti  Ti34  1  0.557889  0.533621  0.585343  1
  Ti  Ti35  1  0.557889  0.270698  0.535736  1
  Ti  Ti36  1  0.557889  0.901467  0.560956  1
  Ti  Ti37  1  1.057889  0.591259  0.631761  1
  Ti  Ti38  1  0.057889  0.328711  0.582180  1
  Ti  Ti39  1  1.057889  0.959358  0.607842  1
  Ti  Ti40  1  0.557889  0.385921  0.628821  1
  Ti  Ti41  1  0.557889  0.123144  0.579214  1
  Ti  Ti42  1  0.557889  0.756252  0.604249  1
  Ti  Ti43  1  1.057889  0.442388  0.673700  1
  Ti  Ti44  1  0.057889  0.181765  0.625370  1
  Ti  Ti45  1  0.057889  0.813181  0.650240  1
  Ti  Ti46  1  0.557889  0.238326  0.670411  1
  Ti  Ti47  1  0.557889  0.019453  0.653233  1
  Ti  Ti48  1  0.557889  0.643646  0.675972  1
