# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95551637
_cell_length_b   2.95551637
_cell_length_c   52.04006678
_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   Ti10
_cell_volume   393.672623206
_cell_formula_units_Z   10
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  0.336146  0.668541  0.294729  1
  Ti  Ti2  1  0.669479  0.335208  0.339883  1
  Ti  Ti3  1  0.336146  0.668541  0.385370  1
  Ti  Ti4  1  0.669479  0.335208  0.430863  1
  Ti  Ti5  1  0.336146  0.668541  0.476356  1
  Ti  Ti6  1  0.669479  0.335208  0.521848  1
  Ti  Ti7  1  0.336146  0.668541  0.567341  1
  Ti  Ti8  1  0.669479  0.335208  0.612834  1
  Ti  Ti9  1  0.336146  0.668541  0.658321  1
  Ti  Ti10  1  0.669479  0.335208  0.703475  1
