# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92807583
_cell_length_b   2.92807633
_cell_length_c   28.08734100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99997914
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti6
_cell_volume   208.54801595
_cell_formula_units_Z   6
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  Ti0  1  0.66666700  0.33333300  0.70438200  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.62646400  1.0
  Ti  Ti2  1  0.66666700  0.33333300  0.54089600  1.0
  Ti  Ti3  1  0.33333300  0.66666700  0.45910400  1.0
  Ti  Ti4  1  0.66666700  0.33333300  0.37353600  1.0
  Ti  Ti5  1  0.33333300  0.66666700  0.29561800  1.0