# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02512608
_cell_length_b   14.52634972
_cell_length_c   47.16463996
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.03440361
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti84
_cell_volume   3390.20045918
_cell_formula_units_Z   84
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  0.166481  0.994742  0.283010  1
  Ti  Ti2  1  0.338426  0.321419  0.291449  1
  Ti  Ti3  1  0.503893  0.651355  0.301373  1
  Ti  Ti4  1  0.912482  0.157478  0.286543  1
  Ti  Ti5  1  0.079167  0.486348  0.296460  1
  Ti  Ti6  1  0.235377  0.815361  0.305261  1
  Ti  Ti7  1  0.663302  0.979394  0.310652  1
  Ti  Ti8  1  0.834324  0.311872  0.321429  1
  Ti  Ti9  1  0.999113  0.641109  0.331403  1
  Ti  Ti10  1  0.409442  0.147190  0.316538  1
  Ti  Ti11  1  0.572775  0.476439  0.326352  1
  Ti  Ti12  1  0.735343  0.806419  0.336142  1
  Ti  Ti13  1  0.161686  0.970632  0.342693  1
  Ti  Ti14  1  0.326815  0.301035  0.352681  1
  Ti  Ti15  1  0.493220  0.630823  0.362755  1
  Ti  Ti16  1  0.903673  0.135106  0.347338  1
  Ti  Ti17  1  0.069131  0.466066  0.357738  1
  Ti  Ti18  1  0.232195  0.795273  0.367672  1
  Ti  Ti19  1  0.656352  0.960160  0.373320  1
  Ti  Ti20  1  0.822128  0.290246  0.383778  1
  Ti  Ti21  1  0.987792  0.620346  0.394062  1
  Ti  Ti22  1  0.398858  0.125463  0.378715  1
  Ti  Ti23  1  0.563914  0.455432  0.388918  1
  Ti  Ti24  1  0.727892  0.785155  0.399114  1
  Ti  Ti25  1  0.151937  0.949737  0.404806  1
  Ti  Ti26  1  0.317130  0.279927  0.415206  1
  Ti  Ti27  1  0.482603  0.609788  0.425457  1
  Ti  Ti28  1  0.893403  0.114766  0.409947  1
  Ti  Ti29  1  0.058395  0.444828  0.420310  1
  Ti  Ti30  1  0.222989  0.774571  0.430622  1
  Ti  Ti31  1  0.647050  0.939394  0.436070  1
  Ti  Ti32  1  0.812004  0.269325  0.446520  1
  Ti  Ti33  1  0.977367  0.599263  0.456857  1
  Ti  Ti34  1  0.388102  0.104369  0.441346  1
  Ti  Ti35  1  0.553202  0.434360  0.451681  1
  Ti  Ti36  1  0.717942  0.764146  0.462037  1
  Ti  Ti37  1  0.141976  0.928931  0.467478  1
  Ti  Ti38  1  0.306894  0.258848  0.477903  1
  Ti  Ti39  1  0.472086  0.588777  0.488240  1
  Ti  Ti40  1  0.882799  0.093877  0.472691  1
  Ti  Ti41  1  0.047951  0.423819  0.483054  1
  Ti  Ti42  1  0.212776  0.753662  0.493470  1
  Ti  Ti43  1  0.636862  0.918494  0.498850  1
  Ti  Ti44  1  0.801687  0.248338  0.509266  1
  Ti  Ti45  1  0.966839  0.578280  0.519628  1
  Ti  Ti46  1  0.377553  0.083380  0.504079  1
  Ti  Ti47  1  0.542744  0.413309  0.514416  1
  Ti  Ti48  1  0.707663  0.743225  0.524841  1
  Ti  Ti49  1  0.131697  0.908010  0.530282  1
  Ti  Ti50  1  0.296437  0.237796  0.540638  1
  Ti  Ti51  1  0.461536  0.567787  0.550973  1
  Ti  Ti52  1  0.872271  0.072894  0.535462  1
  Ti  Ti53  1  0.037635  0.402832  0.545799  1
  Ti  Ti54  1  0.202589  0.732762  0.556250  1
  Ti  Ti55  1  0.626649  0.897585  0.561697  1
  Ti  Ti56  1  0.791243  0.227328  0.572010  1
  Ti  Ti57  1  0.956235  0.557390  0.582372  1
  Ti  Ti58  1  0.367036  0.062368  0.566863  1
  Ti  Ti59  1  0.532508  0.392229  0.577113  1
  Ti  Ti60  1  0.697701  0.722419  0.587514  1
  Ti  Ti61  1  0.121747  0.887001  0.593205  1
  Ti  Ti62  1  0.285724  0.216724  0.603401  1
  Ti  Ti63  1  0.450780  0.546693  0.613604  1
  Ti  Ti64  1  0.861846  0.051811  0.598258  1
  Ti  Ti65  1  0.027510  0.381910  0.608542  1
  Ti  Ti66  1  0.193286  0.711997  0.619000  1
  Ti  Ti67  1  0.617443  0.876884  0.624647  1
  Ti  Ti68  1  0.780508  0.206090  0.634581  1
  Ti  Ti69  1  0.945965  0.537051  0.644981  1
  Ti  Ti70  1  0.356418  0.041333  0.629564  1
  Ti  Ti71  1  0.522824  0.371122  0.639638  1
  Ti  Ti72  1  0.687953  0.701524  0.649627  1
  Ti  Ti73  1  0.114296  0.865737  0.656177  1
  Ti  Ti74  1  0.276864  0.195717  0.665967  1
  Ti  Ti75  1  0.440196  0.524967  0.675781  1
  Ti  Ti76  1  0.850526  0.031047  0.660917  1
  Ti  Ti77  1  0.015315  0.360284  0.670890  1
  Ti  Ti78  1  0.186336  0.692763  0.681667  1
  Ti  Ti79  1  0.614262  0.856796  0.687058  1
  Ti  Ti80  1  0.770471  0.185808  0.695860  1
  Ti  Ti81  1  0.937156  0.514679  0.705776  1
  Ti  Ti82  1  0.345745  0.020801  0.690946  1
  Ti  Ti83  1  0.511212  0.350737  0.700870  1
  Ti  Ti84  1  0.683158  0.677414  0.709309  1
