# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70529835
_cell_length_b   7.69664033
_cell_length_c   52.66985255
_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   1907.43813201
_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  0.494530  0.356093  0.265454  1
  Ti  Ti2  1  0.994530  0.769798  0.254652  1
  Ti  Ti3  1  0.494530  0.987022  0.248724  1
  Ti  Ti4  1  0.994530  0.488757  0.290951  1
  Ti  Ti5  1  0.994530  0.134401  0.271722  1
  Ti  Ti6  1  0.494530  0.708768  0.284887  1
  Ti  Ti7  1  0.494530  0.423844  0.321216  1
  Ti  Ti8  1  0.994530  0.850119  0.308934  1
  Ti  Ti9  1  0.494530  0.068744  0.302394  1
  Ti  Ti10  1  0.994530  0.564238  0.346335  1
  Ti  Ti11  1  0.994530  0.205844  0.327611  1
  Ti  Ti12  1  0.494530  0.782404  0.339958  1
  Ti  Ti13  1  0.494530  0.496527  0.377155  1
  Ti  Ti14  1  0.994530  0.921556  0.365001  1
  Ti  Ti15  1  0.494530  0.139373  0.358479  1
  Ti  Ti16  1  0.994530  0.636083  0.402265  1
  Ti  Ti17  1  0.994530  0.278751  0.383591  1
  Ti  Ti18  1  0.494530  0.853876  0.395817  1
  Ti  Ti19  1  0.494530  0.568351  0.433082  1
  Ti  Ti20  1  0.994530  0.993435  0.420911  1
  Ti  Ti21  1  0.494530  0.211114  0.414425  1
  Ti  Ti22  1  0.994530  0.707947  0.458192  1
  Ti  Ti23  1  0.994530  0.350663  0.439538  1
  Ti  Ti24  1  0.494530  0.925636  0.451723  1
  Ti  Ti25  1  0.494530  0.640194  0.489012  1
  Ti  Ti26  1  0.994530  0.065222  0.476827  1
  Ti  Ti27  1  0.494530  0.282911  0.470358  1
  Ti  Ti28  1  0.994530  0.779743  0.514125  1
  Ti  Ti29  1  0.994530  0.422506  0.495467  1
  Ti  Ti30  1  0.494530  0.997422  0.507639  1
  Ti  Ti31  1  0.494530  0.712106  0.544958  1
  Ti  Ti32  1  0.994530  0.136981  0.532732  1
  Ti  Ti33  1  0.494530  0.354774  0.526284  1
  Ti  Ti34  1  0.994530  0.851484  0.570071  1
  Ti  Ti35  1  0.994530  0.494330  0.551395  1
  Ti  Ti36  1  0.494530  0.069301  0.563549  1
  Ti  Ti37  1  0.494530  0.785013  0.600938  1
  Ti  Ti38  1  0.994530  0.208453  0.588592  1
  Ti  Ti39  1  0.494530  0.426619  0.582215  1
  Ti  Ti40  1  0.994530  0.922114  0.626155  1
  Ti  Ti41  1  0.994530  0.567013  0.607334  1
  Ti  Ti42  1  0.494530  0.140738  0.619615  1
  Ti  Ti43  1  0.494530  0.856456  0.656827  1
  Ti  Ti44  1  0.994530  0.282089  0.643662  1
  Ti  Ti45  1  0.494530  0.502100  0.637598  1
  Ti  Ti46  1  0.994530  1.003835  0.679825  1
  Ti  Ti47  1  0.994530  0.634764  0.663095  1
  Ti  Ti48  1  0.494530  0.221060  0.673898  1
