# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92114695
_cell_length_b   2.92114695
_cell_length_c   62.24307935
_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   Ti14
_cell_volume   531.126390511
_cell_formula_units_Z   14
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  0.063466  1.063466  0.179104  1
  Ti  Ti2  1  0.563466  0.563466  0.212155  1
  Ti  Ti3  1  1.063466  1.063466  0.245532  1
  Ti  Ti4  1  0.563466  0.563466  0.279131  1
  Ti  Ti5  1  1.063466  1.063466  0.312741  1
  Ti  Ti6  1  0.563466  0.563466  0.346326  1
  Ti  Ti7  1  1.063466  1.063466  0.379900  1
  Ti  Ti8  1  0.563466  0.563466  0.413425  1
  Ti  Ti9  1  1.063466  0.063466  0.447000  1
  Ti  Ti10  1  0.563466  0.563466  0.480584  1
  Ti  Ti11  1  0.063466  0.063466  0.514195  1
  Ti  Ti12  1  0.563466  0.563466  0.547793  1
  Ti  Ti13  1  1.063466  1.063466  0.581171  1
  Ti  Ti14  1  0.563466  0.563466  0.614222  1
