# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84321507
_cell_length_b   5.84321507
_cell_length_c   48.04169092
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti36
_cell_volume   1420.53736105
_cell_formula_units_Z   36
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  1.003148  0.002099  0.298794  1
  Ti  Ti2  1  1.003148  0.502099  0.298794  1
  Ti  Ti3  1  0.503148  0.502099  0.298794  1
  Ti  Ti4  1  0.503148  0.002099  0.298794  1
  Ti  Ti5  1  0.336482  0.668766  0.348431  1
  Ti  Ti6  1  0.336482  0.168766  0.348431  1
  Ti  Ti7  1  0.836482  0.168766  0.348431  1
  Ti  Ti8  1  0.836482  0.668766  0.348431  1
  Ti  Ti9  1  0.669815  0.335432  0.398594  1
  Ti  Ti10  1  0.669815  0.835432  0.398594  1
  Ti  Ti11  1  0.169815  0.835432  0.398594  1
  Ti  Ti12  1  0.169815  0.335432  0.398594  1
  Ti  Ti13  1  1.003148  0.002099  0.448628  1
  Ti  Ti14  1  1.003148  0.502099  0.448628  1
  Ti  Ti15  1  0.503148  0.502099  0.448628  1
  Ti  Ti16  1  0.503148  0.002099  0.448628  1
  Ti  Ti17  1  0.336482  0.668766  0.498629  1
  Ti  Ti18  1  0.336482  0.168766  0.498629  1
  Ti  Ti19  1  0.836482  0.168766  0.498629  1
  Ti  Ti20  1  0.836482  0.668766  0.498629  1
  Ti  Ti21  1  0.669815  0.335432  0.548630  1
  Ti  Ti22  1  0.669815  0.835432  0.548630  1
  Ti  Ti23  1  0.169815  0.835432  0.548630  1
  Ti  Ti24  1  0.169815  0.335432  0.548630  1
  Ti  Ti25  1  1.003148  0.002099  0.598663  1
  Ti  Ti26  1  1.003148  0.502099  0.598663  1
  Ti  Ti27  1  0.503148  0.502099  0.598663  1
  Ti  Ti28  1  0.503148  0.002099  0.598663  1
  Ti  Ti29  1  0.336482  0.668766  0.648826  1
  Ti  Ti30  1  0.336482  0.168766  0.648826  1
  Ti  Ti31  1  0.836482  0.168766  0.648826  1
  Ti  Ti32  1  0.836482  0.668766  0.648826  1
  Ti  Ti33  1  0.669815  0.335432  0.698464  1
  Ti  Ti34  1  0.669815  0.835432  0.698464  1
  Ti  Ti35  1  0.169815  0.835432  0.698464  1
  Ti  Ti36  1  0.169815  0.335432  0.698464  1
