# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84469009
_cell_length_b   16.66211779
_cell_length_c   46.98173321
_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   2226.86656186
_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  0.905517  0.770963  0.340585  1
  Ti  Ti2  1  0.986089  0.497572  0.317887  1
  Ti  Ti3  1  0.059628  0.227373  0.299463  1
  Ti  Ti4  1  0.745915  0.612587  0.360094  1
  Ti  Ti5  1  0.589430  0.347151  0.333112  1
  Ti  Ti6  1  0.669255  0.074310  0.310770  1
  Ti  Ti7  1  0.375248  0.651150  0.306892  1
  Ti  Ti8  1  0.425964  0.188910  0.352790  1
  Ti  Ti9  1  0.307609  0.921031  0.325349  1
  Ti  Ti10  1  0.040264  0.576872  0.415706  1
  Ti  Ti11  1  0.001772  0.307889  0.388490  1
  Ti  Ti12  1  0.025158  0.038036  0.365952  1
  Ti  Ti13  1  0.675279  0.422469  0.428895  1
  Ti  Ti14  1  0.734779  0.152313  0.407949  1
  Ti  Ti15  1  0.646890  0.887221  0.381337  1
  Ti  Ti16  1  0.331707  0.463160  0.373877  1
  Ti  Ti17  1  0.338126  1.001060  0.422231  1
  Ti  Ti18  1  0.320771  0.731504  0.395864  1
  Ti  Ti19  1  0.989166  0.384376  0.484791  1
  Ti  Ti20  1  0.033605  0.114690  0.463756  1
  Ti  Ti21  1  0.992873  0.846187  0.436282  1
  Ti  Ti22  1  0.662781  0.230628  0.502162  1
  Ti  Ti23  1  0.675302  0.960084  0.477461  1
  Ti  Ti24  1  0.646579  0.693549  0.452966  1
  Ti  Ti25  1  0.338903  0.269009  0.445318  1
  Ti  Ti26  1  0.294032  0.808093  0.492417  1
  Ti  Ti27  1  0.375380  0.536530  0.470455  1
  Ti  Ti28  1  0.015490  0.188788  0.558113  1
  Ti  Ti29  1  0.987804  0.922273  0.533660  1
  Ti  Ti30  1  -0.000947  0.651812  0.508929  1
  Ti  Ti31  1  0.669854  0.036120  0.574863  1
  Ti  Ti32  1  0.629578  0.767678  0.547396  1
  Ti  Ti33  1  0.673328  0.498046  0.526357  1
  Ti  Ti34  1  0.369613  0.074248  0.518718  1
  Ti  Ti35  1  0.322085  0.613411  0.565783  1
  Ti  Ti36  1  0.287300  0.345855  0.540694  1
  Ti  Ti37  1  0.014769  0.994995  0.629820  1
  Ti  Ti38  1  0.927063  0.730003  0.603224  1
  Ti  Ti39  1  0.986578  0.459883  0.582247  1
  Ti  Ti40  1  0.635183  0.844198  0.645210  1
  Ti  Ti41  1  0.657743  0.574437  0.622607  1
  Ti  Ti42  1  0.622563  0.305375  0.595433  1
  Ti  Ti43  1  0.323977  0.881249  0.588904  1
  Ti  Ti44  1  0.329777  0.419030  0.637248  1
  Ti  Ti45  1  0.339514  0.150782  0.615227  1
  Ti  Ti46  1  0.989272  0.807742  0.700404  1
  Ti  Ti47  1  0.068877  0.534955  0.677979  1
  Ti  Ti48  1  0.915446  0.269583  0.651074  1
  Ti  Ti49  1  0.599430  0.654599  0.711711  1
  Ti  Ti50  1  0.672786  0.384476  0.693266  1
  Ti  Ti51  1  0.752927  0.111181  0.670521  1
  Ti  Ti52  1  0.234417  0.693262  0.658394  1
  Ti  Ti53  1  0.284037  0.230861  0.704285  1
  Ti  Ti54  1  0.351289  0.961071  0.685836  1
