# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.75217898
_cell_length_b   5.05097359
_cell_length_c   48.09982152
_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   Ti54
_cell_volume   2126.35000532
_cell_formula_units_Z   54
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  -0.039506  0.485908  0.308867  1
  Ti  Ti2  1  0.460494  0.985908  0.308867  1
  Ti  Ti3  1  0.127161  0.985908  0.308867  1
  Ti  Ti4  1  0.627161  0.485908  0.308867  1
  Ti  Ti5  1  0.293828  0.485908  0.308867  1
  Ti  Ti6  1  0.793828  0.985908  0.308867  1
  Ti  Ti7  1  -0.039506  0.819300  0.358509  1
  Ti  Ti8  1  0.460494  0.319300  0.358509  1
  Ti  Ti9  1  0.127161  0.319300  0.358509  1
  Ti  Ti10  1  0.627161  0.819300  0.358509  1
  Ti  Ti11  1  0.293828  0.819300  0.358509  1
  Ti  Ti12  1  0.793828  0.319300  0.358509  1
  Ti  Ti13  1  -0.039506  0.152697  0.408992  1
  Ti  Ti14  1  0.460494  0.652697  0.408992  1
  Ti  Ti15  1  0.127161  0.652697  0.408992  1
  Ti  Ti16  1  0.627161  0.152697  0.408992  1
  Ti  Ti17  1  0.293828  0.152697  0.408992  1
  Ti  Ti18  1  0.793828  0.652697  0.408992  1
  Ti  Ti19  1  -0.039506  0.486094  0.459447  1
  Ti  Ti20  1  0.460494  0.986094  0.459447  1
  Ti  Ti21  1  0.127161  0.986094  0.459447  1
  Ti  Ti22  1  0.627161  0.486094  0.459447  1
  Ti  Ti23  1  0.293828  0.486094  0.459447  1
  Ti  Ti24  1  0.793828  0.986094  0.459447  1
  Ti  Ti25  1  -0.039506  0.819491  0.509902  1
  Ti  Ti26  1  0.460494  0.319491  0.509902  1
  Ti  Ti27  1  0.127161  0.319491  0.509902  1
  Ti  Ti28  1  0.627161  0.819491  0.509902  1
  Ti  Ti29  1  0.293828  0.819491  0.509902  1
  Ti  Ti30  1  0.793828  0.319491  0.509902  1
  Ti  Ti31  1  -0.039506  0.152889  0.560358  1
  Ti  Ti32  1  0.460494  0.652889  0.560358  1
  Ti  Ti33  1  0.127161  0.652889  0.560358  1
  Ti  Ti34  1  0.627161  0.152889  0.560358  1
  Ti  Ti35  1  0.293828  0.152889  0.560358  1
  Ti  Ti36  1  0.793828  0.652889  0.560358  1
  Ti  Ti37  1  -0.039506  0.486286  0.610813  1
  Ti  Ti38  1  0.460494  0.986286  0.610813  1
  Ti  Ti39  1  0.127161  0.986286  0.610813  1
  Ti  Ti40  1  0.627161  0.486286  0.610813  1
  Ti  Ti41  1  0.293828  0.486286  0.610813  1
  Ti  Ti42  1  0.793828  0.986286  0.610813  1
  Ti  Ti43  1  -0.039506  0.819683  0.661295  1
  Ti  Ti44  1  0.460494  0.319683  0.661295  1
  Ti  Ti45  1  0.127161  0.319683  0.661295  1
  Ti  Ti46  1  0.627161  0.819683  0.661295  1
  Ti  Ti47  1  0.293828  0.819683  0.661295  1
  Ti  Ti48  1  0.793828  0.319683  0.661295  1
  Ti  Ti49  1  -0.039506  0.153075  0.710938  1
  Ti  Ti50  1  0.460494  0.653075  0.710938  1
  Ti  Ti51  1  0.127161  0.653075  0.710938  1
  Ti  Ti52  1  0.627161  0.153075  0.710938  1
  Ti  Ti53  1  0.293828  0.153075  0.710938  1
  Ti  Ti54  1  0.793828  0.653075  0.710938  1
