# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84600288
_cell_length_b   20.18979744
_cell_length_c   47.19470646
_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   Ti72
_cell_volume   2711.81829591
_cell_formula_units_Z   72
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  0.580285  0.343873  0.315019  1
  Ti  Ti2  1  0.580285  0.121380  0.282165  1
  Ti  Ti3  1  0.580285  0.732736  0.298735  1
  Ti  Ti4  1  0.080285  0.217816  0.316450  1
  Ti  Ti5  1  0.080285  0.996231  0.282628  1
  Ti  Ti6  1  0.080285  0.606473  0.299735  1
  Ti  Ti7  1  0.080285  0.079379  0.332719  1
  Ti  Ti8  1  0.080285  0.859149  0.297196  1
  Ti  Ti9  1  0.580285  0.480752  0.300766  1
  Ti  Ti10  1  0.580285  0.174781  0.368168  1
  Ti  Ti11  1  0.580285  0.953693  0.333675  1
  Ti  Ti12  1  0.580285  0.563875  0.350946  1
  Ti  Ti13  1  0.580285  0.036647  0.384127  1
  Ti  Ti14  1  0.580285  0.815978  0.348803  1
  Ti  Ti15  1  0.080285  0.438053  0.351852  1
  Ti  Ti16  1  0.080285  0.910675  0.385140  1
  Ti  Ti17  1  0.080285  0.689943  0.350037  1
  Ti  Ti18  1  0.080285  0.300599  0.366828  1
  Ti  Ti19  1  0.080285  0.993649  0.435747  1
  Ti  Ti20  1  0.080285  0.773020  0.400593  1
  Ti  Ti21  1  0.580285  0.394996  0.403364  1
  Ti  Ti22  1  0.580285  0.867775  0.436873  1
  Ti  Ti23  1  0.580285  0.647042  0.401689  1
  Ti  Ti24  1  0.580285  0.257466  0.418732  1
  Ti  Ti25  1  0.580285  0.730045  0.452384  1
  Ti  Ti26  1  0.080285  0.520947  0.402537  1
  Ti  Ti27  1  0.080285  0.131657  0.420026  1
  Ti  Ti28  1  0.080285  0.824796  0.488637  1
  Ti  Ti29  1  0.080285  0.604081  0.453404  1
  Ti  Ti30  1  0.080285  0.214421  0.470593  1
  Ti  Ti31  1  0.080285  0.687064  0.504150  1
  Ti  Ti32  1  0.580285  0.477987  0.454206  1
  Ti  Ti33  1  0.580285  0.088560  0.471811  1
  Ti  Ti34  1  0.580285  0.561132  0.505114  1
  Ti  Ti35  1  0.080285  0.352083  0.455114  1
  Ti  Ti36  1  0.580285  0.950659  0.487461  1
  Ti  Ti37  1  0.580285  0.644111  0.555912  1
  Ti  Ti38  1  0.080285  0.435063  0.505912  1
  Ti  Ti39  1  0.080285  0.045535  0.523565  1
  Ti  Ti40  1  0.080285  0.518207  0.556820  1
  Ti  Ti41  1  0.580285  0.309130  0.506877  1
  Ti  Ti42  1  0.080285  0.907634  0.539215  1
  Ti  Ti43  1  0.580285  0.392113  0.557623  1
  Ti  Ti44  1  0.580285  0.171398  0.522389  1
  Ti  Ti45  1  0.580285  0.781774  0.540433  1
  Ti  Ti46  1  0.580285  0.475248  0.608489  1
  Ti  Ti47  1  0.080285  0.266149  0.558643  1
  Ti  Ti48  1  0.580285  0.864537  0.591001  1
  Ti  Ti49  1  0.080285  0.349152  0.609337  1
  Ti  Ti50  1  0.080285  0.128419  0.574154  1
  Ti  Ti51  1  0.080285  0.738728  0.592294  1
  Ti  Ti52  1  0.580285  0.223174  0.610433  1
  Ti  Ti53  1  0.580285  1.002545  0.575280  1
  Ti  Ti54  1  0.080285  0.601198  0.607663  1
  Ti  Ti55  1  0.580285  0.306251  0.660990  1
  Ti  Ti56  1  0.580285  0.085519  0.625887  1
  Ti  Ti57  1  0.580285  0.695595  0.644199  1
  Ti  Ti58  1  0.080285  0.180216  0.662224  1
  Ti  Ti59  1  0.080285  0.959547  0.626899  1
  Ti  Ti60  1  0.580285  0.558141  0.659175  1
  Ti  Ti61  1  0.080285  0.042501  0.677351  1
  Ti  Ti62  1  0.080285  0.821413  0.642858  1
  Ti  Ti63  1  0.080285  0.432319  0.660080  1
  Ti  Ti64  1  0.580285  0.137045  0.713830  1
  Ti  Ti65  1  0.580285  0.916815  0.678307  1
  Ti  Ti66  1  0.080285  0.515442  0.710261  1
  Ti  Ti67  1  0.580285  0.999963  0.728398  1
  Ti  Ti68  1  0.580285  0.778378  0.694576  1
  Ti  Ti69  1  0.580285  0.389721  0.711292  1
  Ti  Ti70  1  0.080285  0.874814  0.728861  1
  Ti  Ti71  1  0.080285  0.652321  0.696008  1
  Ti  Ti72  1  0.080285  0.263458  0.712291  1
