# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09284541
_cell_length_b   13.05943398
_cell_length_c   51.48285318
_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   2751.77108444
_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  0.506681  0.249720  0.323671  1
  Ti  Ti2  1  0.506681  0.950158  0.297436  1
  Ti  Ti3  1  0.506681  0.662935  0.275487  1
  Ti  Ti4  1  1.006681  0.098427  0.309760  1
  Ti  Ti5  1  1.006681  0.803855  0.286373  1
  Ti  Ti6  1  1.006681  0.398022  0.336110  1
  Ti  Ti7  1  1.006681  0.303855  0.286373  1
  Ti  Ti8  1  1.006681  0.898022  0.336110  1
  Ti  Ti9  1  1.006681  0.598427  0.309760  1
  Ti  Ti10  1  0.506681  0.162935  0.275487  1
  Ti  Ti11  1  0.506681  0.749720  0.323671  1
  Ti  Ti12  1  0.506681  0.450158  0.297436  1
  Ti  Ti13  1  0.506681  0.146309  0.400026  1
  Ti  Ti14  1  0.506681  0.847613  0.374688  1
  Ti  Ti15  1  0.506681  0.547452  0.348105  1
  Ti  Ti16  1  1.006681  0.997119  0.387276  1
  Ti  Ti17  1  1.006681  0.696930  0.361415  1
  Ti  Ti18  1  1.006681  0.296051  0.413048  1
  Ti  Ti19  1  1.006681  0.196930  0.361415  1
  Ti  Ti20  1  1.006681  0.796051  0.413048  1
  Ti  Ti21  1  1.006681  0.497119  0.387276  1
  Ti  Ti22  1  0.506681  0.047452  0.348105  1
  Ti  Ti23  1  0.506681  0.646309  0.400026  1
  Ti  Ti24  1  0.506681  0.347613  0.374688  1
  Ti  Ti25  1  0.506681  0.044405  0.477470  1
  Ti  Ti26  1  0.506681  0.745013  0.451653  1
  Ti  Ti27  1  0.506681  0.445944  0.426007  1
  Ti  Ti28  1  1.006681  0.894691  0.464579  1
  Ti  Ti29  1  1.006681  0.595483  0.438795  1
  Ti  Ti30  1  1.006681  0.194024  0.490337  1
  Ti  Ti31  1  1.006681  0.095483  0.438795  1
  Ti  Ti32  1  1.006681  0.694024  0.490337  1
  Ti  Ti33  1  1.006681  0.394691  0.464579  1
  Ti  Ti34  1  0.506681  0.945944  0.426007  1
  Ti  Ti35  1  0.506681  0.544405  0.477470  1
  Ti  Ti36  1  0.506681  0.245013  0.451653  1
  Ti  Ti37  1  0.506681  0.942155  0.554760  1
  Ti  Ti38  1  0.506681  0.642947  0.528975  1
  Ti  Ti39  1  0.506681  0.343614  0.503217  1
  Ti  Ti40  1  1.006681  0.792625  0.541901  1
  Ti  Ti41  1  1.006681  0.493233  0.516085  1
  Ti  Ti42  1  1.006681  0.091694  0.567548  1
  Ti  Ti43  1  1.006681  0.993233  0.516085  1
  Ti  Ti44  1  1.006681  0.591694  0.567548  1
  Ti  Ti45  1  1.006681  0.292625  0.541901  1
  Ti  Ti46  1  0.506681  0.843614  0.503217  1
  Ti  Ti47  1  0.506681  0.442155  0.554760  1
  Ti  Ti48  1  0.506681  0.142947  0.528975  1
  Ti  Ti49  1  0.506681  0.840708  0.632140  1
  Ti  Ti50  1  0.506681  0.540518  0.606278  1
  Ti  Ti51  1  0.506681  0.241587  0.580507  1
  Ti  Ti52  1  1.006681  0.690025  0.618867  1
  Ti  Ti53  1  1.006681  0.391329  0.593528  1
  Ti  Ti54  1  1.006681  0.990185  0.645450  1
  Ti  Ti55  1  1.006681  0.891329  0.593528  1
  Ti  Ti56  1  1.006681  0.490185  0.645450  1
  Ti  Ti57  1  1.006681  0.190025  0.618867  1
  Ti  Ti58  1  0.506681  0.741587  0.580507  1
  Ti  Ti59  1  0.506681  0.340708  0.632140  1
  Ti  Ti60  1  0.506681  0.040518  0.606278  1
  Ti  Ti61  1  0.506681  0.733782  0.707182  1
  Ti  Ti62  1  0.506681  0.439211  0.683795  1
  Ti  Ti63  1  0.506681  0.139616  0.657444  1
  Ti  Ti64  1  1.006681  0.587479  0.696118  1
  Ti  Ti65  1  1.006681  0.287918  0.669884  1
  Ti  Ti66  1  1.006681  0.874703  0.718067  1
  Ti  Ti67  1  1.006681  0.787918  0.669884  1
  Ti  Ti68  1  1.006681  0.374703  0.718067  1
  Ti  Ti69  1  1.006681  0.087479  0.696118  1
  Ti  Ti70  1  0.506681  0.639616  0.657444  1
  Ti  Ti71  1  0.506681  0.233782  0.707182  1
  Ti  Ti72  1  0.506681  0.939211  0.683795  1
