# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28570406
_cell_length_b   7.27391605
_cell_length_c   47.88591943
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti64
_cell_volume   2486.47019885
_cell_formula_units_Z   64
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  0.750352  0.751454  0.298123  1
  Ti  Ti2  1  0.250352  0.251454  0.298123  1
  Ti  Ti3  1  0.125352  0.626454  0.317535  1
  Ti  Ti4  1  0.625352  0.126454  0.317535  1
  Ti  Ti5  1  0.500352  0.501454  0.298123  1
  Ti  Ti6  1  0.000352  0.001454  0.298123  1
  Ti  Ti7  1  0.875352  0.376454  0.317535  1
  Ti  Ti8  1  0.375352  0.876454  0.317535  1
  Ti  Ti9  1  0.625352  0.626454  0.352451  1
  Ti  Ti10  1  0.125352  0.126454  0.352451  1
  Ti  Ti11  1  0.000352  0.501454  0.372203  1
  Ti  Ti12  1  0.500352  0.001454  0.372203  1
  Ti  Ti13  1  0.375352  0.376454  0.352451  1
  Ti  Ti14  1  0.875352  0.876454  0.352451  1
  Ti  Ti15  1  0.750352  0.251454  0.372203  1
  Ti  Ti16  1  0.250352  0.751454  0.372203  1
  Ti  Ti17  1  0.500352  0.501454  0.407802  1
  Ti  Ti18  1  0.000352  0.001454  0.407802  1
  Ti  Ti19  1  0.875352  0.376454  0.427541  1
  Ti  Ti20  1  0.375352  0.876454  0.427541  1
  Ti  Ti21  1  0.250352  0.251454  0.407802  1
  Ti  Ti22  1  0.750352  0.751454  0.407802  1
  Ti  Ti23  1  0.625352  0.126454  0.427541  1
  Ti  Ti24  1  0.125352  0.626454  0.427541  1
  Ti  Ti25  1  0.375352  0.376454  0.463120  1
  Ti  Ti26  1  0.875352  0.876454  0.463120  1
  Ti  Ti27  1  0.750352  0.251454  0.482859  1
  Ti  Ti28  1  0.250352  0.751454  0.482859  1
  Ti  Ti29  1  0.125352  0.126454  0.463120  1
  Ti  Ti30  1  0.625352  0.626454  0.463120  1
  Ti  Ti31  1  0.500352  0.001454  0.482859  1
  Ti  Ti32  1  0.000352  0.501454  0.482859  1
  Ti  Ti33  1  0.250352  0.251454  0.518439  1
  Ti  Ti34  1  0.750352  0.751454  0.518439  1
  Ti  Ti35  1  0.625352  0.126454  0.538178  1
  Ti  Ti36  1  0.125352  0.626454  0.538178  1
  Ti  Ti37  1  1.000352  1.001454  0.518439  1
  Ti  Ti38  1  0.500352  0.501454  0.518439  1
  Ti  Ti39  1  0.375352  0.876454  0.538178  1
  Ti  Ti40  1  0.875352  0.376454  0.538178  1
  Ti  Ti41  1  0.125352  0.126454  0.573757  1
  Ti  Ti42  1  0.625352  0.626454  0.573757  1
  Ti  Ti43  1  0.500352  1.001454  0.593496  1
  Ti  Ti44  1  1.000352  0.501454  0.593496  1
  Ti  Ti45  1  0.875352  0.876454  0.573757  1
  Ti  Ti46  1  0.375352  0.376454  0.573757  1
  Ti  Ti47  1  0.250352  0.751454  0.593496  1
  Ti  Ti48  1  0.750352  0.251454  0.593496  1
  Ti  Ti49  1  1.000352  1.001454  0.629095  1
  Ti  Ti50  1  0.500352  0.501454  0.629095  1
  Ti  Ti51  1  0.375352  0.876454  0.648847  1
  Ti  Ti52  1  0.875352  0.376454  0.648847  1
  Ti  Ti53  1  0.750352  0.751454  0.629095  1
  Ti  Ti54  1  0.250352  0.251454  0.629095  1
  Ti  Ti55  1  0.125352  0.626454  0.648847  1
  Ti  Ti56  1  0.625352  0.126454  0.648847  1
  Ti  Ti57  1  0.875352  0.876454  0.683763  1
  Ti  Ti58  1  0.375352  0.376454  0.683763  1
  Ti  Ti59  1  0.250352  0.751454  0.703175  1
  Ti  Ti60  1  0.750352  0.251454  0.703175  1
  Ti  Ti61  1  0.625352  0.626454  0.683763  1
  Ti  Ti62  1  0.125352  0.126454  0.683763  1
  Ti  Ti63  1  1.000352  0.501454  0.703175  1
  Ti  Ti64  1  0.500352  1.001454  0.703175  1
