# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83078983
_cell_length_b   7.99682264
_cell_length_c   46.42506536
_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   Ti27
_cell_volume   1050.93925618
_cell_formula_units_Z   27
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  0.006311  0.001267  0.299267  1
  Ti  Ti2  1  0.672978  0.667933  0.299267  1
  Ti  Ti3  1  0.339645  0.334600  0.299267  1
  Ti  Ti4  1  0.006311  0.501267  0.347850  1
  Ti  Ti5  1  0.672978  0.167933  0.347850  1
  Ti  Ti6  1  0.339645  0.834600  0.347850  1
  Ti  Ti7  1  0.006311  1.001267  0.398076  1
  Ti  Ti8  1  0.672978  0.667933  0.398076  1
  Ti  Ti9  1  0.339645  0.334600  0.398076  1
  Ti  Ti10  1  1.006311  0.501267  0.448294  1
  Ti  Ti11  1  0.672978  0.167933  0.448294  1
  Ti  Ti12  1  0.339645  0.834600  0.448294  1
  Ti  Ti13  1  1.006311  1.001267  0.498509  1
  Ti  Ti14  1  0.672978  0.667933  0.498509  1
  Ti  Ti15  1  0.339645  0.334600  0.498509  1
  Ti  Ti16  1  1.006311  0.501267  0.548725  1
  Ti  Ti17  1  0.672978  0.167933  0.548725  1
  Ti  Ti18  1  0.339645  0.834600  0.548725  1
  Ti  Ti19  1  1.006311  1.001267  0.598943  1
  Ti  Ti20  1  0.672978  0.667933  0.598943  1
  Ti  Ti21  1  0.339645  0.334600  0.598943  1
  Ti  Ti22  1  1.006311  0.501267  0.649169  1
  Ti  Ti23  1  0.672978  0.167933  0.649169  1
  Ti  Ti24  1  0.339645  0.834600  0.649169  1
  Ti  Ti25  1  0.006311  0.001267  0.697752  1
  Ti  Ti26  1  0.672978  0.667933  0.697752  1
  Ti  Ti27  1  0.339645  0.334600  0.697752  1
