# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08072828
_cell_length_b   5.51558982
_cell_length_c   46.42106884
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.48260769
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti30
_cell_volume   1154.0658555
_cell_formula_units_Z   30
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  0.879891  0.429353  0.284126  1
  Ti  Ti2  1  0.752839  0.874556  0.296093  1
  Ti  Ti3  1  0.331796  0.321290  0.309902  1
  Ti  Ti4  1  0.220759  0.788004  0.325417  1
  Ti  Ti5  1  0.794520  0.241814  0.340887  1
  Ti  Ti6  1  0.675331  0.692128  0.354772  1
  Ti  Ti7  1  0.244411  0.148091  0.370725  1
  Ti  Ti8  1  0.134729  0.604425  0.386007  1
  Ti  Ti9  1  0.699529  0.056602  0.401260  1
  Ti  Ti10  1  0.589980  0.512212  0.416301  1
  Ti  Ti11  1  0.154610  0.967455  0.431778  1
  Ti  Ti12  1  0.045183  0.422145  0.446877  1
  Ti  Ti13  1  0.609306  0.876423  0.462171  1
  Ti  Ti14  1  0.500498  0.331768  0.477357  1
  Ti  Ti15  1  0.064486  0.786383  0.492675  1
  Ti  Ti16  1  0.955320  0.241193  0.507813  1
  Ti  Ti17  1  0.519308  0.695809  0.523131  1
  Ti  Ti18  1  0.410500  0.151154  0.538318  1
  Ti  Ti19  1  0.974623  0.605431  0.553611  1
  Ti  Ti20  1  0.865196  0.060122  0.568711  1
  Ti  Ti21  1  0.429826  0.515364  0.584187  1
  Ti  Ti22  1  0.320277  0.970974  0.599228  1
  Ti  Ti23  1  0.885077  0.423151  0.614481  1
  Ti  Ti24  1  0.775395  0.879485  0.629763  1
  Ti  Ti25  1  0.344475  0.335448  0.645716  1
  Ti  Ti26  1  0.225286  0.785762  0.659601  1
  Ti  Ti27  1  0.799047  0.239573  0.675071  1
  Ti  Ti28  1  0.688010  0.706287  0.690586  1
  Ti  Ti29  1  0.266967  0.153020  0.704395  1
  Ti  Ti30  1  0.139915  0.598224  0.716362  1
