# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.01838780
_cell_length_b   9.46379615
_cell_length_c   49.33293973
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.13349049
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti135
_cell_volume   5588.60094362
_cell_formula_units_Z   135
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  0.275387  0.803945  0.332652  1
  Ti  Ti2  1  0.257165  0.570761  0.295479  1
  Ti  Ti3  1  0.267162  0.275098  0.282466  1
  Ti  Ti4  1  0.609728  0.432912  0.338782  1
  Ti  Ti5  1  0.592185  0.197215  0.299684  1
  Ti  Ti6  1  0.936211  0.127164  0.331265  1
  Ti  Ti7  1  0.610904  0.727011  0.352599  1
  Ti  Ti8  1  0.910989  0.847703  0.306831  1
  Ti  Ti9  1  0.959835  0.388278  0.358960  1
  Ti  Ti10  1  0.392005  0.543617  0.343351  1
  Ti  Ti11  1  0.390385  0.246826  0.330211  1
  Ti  Ti12  1  0.365230  1.010392  0.293084  1
  Ti  Ti13  1  0.718985  0.176546  0.348531  1
  Ti  Ti14  1  0.688543  0.931962  0.313418  1
  Ti  Ti15  1  0.056297  0.843128  0.354037  1
  Ti  Ti16  1  0.696099  0.639225  0.299761  1
  Ti  Ti17  1  0.037689  0.592186  0.318279  1
  Ti  Ti18  1  0.033111  0.310533  0.291448  1
  Ti  Ti19  1  0.475438  0.753250  0.303582  1
  Ti  Ti20  1  0.477718  0.455264  0.291183  1
  Ti  Ti21  1  0.496467  0.989927  0.341306  1
  Ti  Ti22  1  0.817524  0.387111  0.311166  1
  Ti  Ti23  1  0.824051  0.122756  0.282887  1
  Ti  Ti24  1  0.159165  0.071655  0.319512  1
  Ti  Ti25  1  0.833788  0.630147  0.347082  1
  Ti  Ti26  1  0.139653  0.830421  0.287533  1
  Ti  Ti27  1  0.177042  0.358902  0.335045  1
  Ti  Ti28  1  0.312478  0.571820  0.417508  1
  Ti  Ti29  1  0.301498  0.333164  0.383001  1
  Ti  Ti30  1  0.292292  0.039279  0.367581  1
  Ti  Ti31  1  0.654016  0.215973  0.425103  1
  Ti  Ti32  1  0.630463  0.972372  0.389231  1
  Ti  Ti33  1  0.973526  0.920956  0.408815  1
  Ti  Ti34  1  0.657243  0.508494  0.440154  1
  Ti  Ti35  1  0.969902  0.628386  0.395153  1
  Ti  Ti36  1  0.992792  0.161836  0.445219  1
  Ti  Ti37  1  0.432636  0.313682  0.430961  1
  Ti  Ti38  1  0.422853  0.019729  0.415566  1
  Ti  Ti39  1  0.407123  0.780374  0.379911  1
  Ti  Ti40  1  0.768626  0.963933  0.436691  1
  Ti  Ti41  1  0.746298  0.714689  0.401429  1
  Ti  Ti42  1  0.104073  0.615058  0.444117  1
  Ti  Ti43  1  0.745182  0.422307  0.385826  1
  Ti  Ti44  1  0.089985  0.378799  0.408123  1
  Ti  Ti45  1  0.082303  0.139537  0.374185  1
  Ti  Ti46  1  0.523915  0.522424  0.392169  1
  Ti  Ti47  1  0.519082  0.228472  0.377942  1
  Ti  Ti48  1  0.539280  0.764346  0.427806  1
  Ti  Ti49  1  0.859948  0.170914  0.395564  1
  Ti  Ti50  1  0.827062  0.914559  0.361748  1
  Ti  Ti51  1  0.193698  0.828184  0.404518  1
  Ti  Ti52  1  0.878021  0.414515  0.433819  1
  Ti  Ti53  1  0.178146  0.592137  0.368658  1
  Ti  Ti54  1  0.208046  0.121164  0.421729  1
  Ti  Ti55  1  0.354560  0.345470  0.504614  1
  Ti  Ti56  1  0.339140  0.104009  0.469381  1
  Ti  Ti57  1  0.326994  0.810212  0.453297  1
  Ti  Ti58  1  0.689549  0.994448  0.510540  1
  Ti  Ti59  1  0.674255  0.753025  0.475233  1
  Ti  Ti60  1  0.017860  0.697047  0.497692  1
  Ti  Ti61  1  0.700231  0.288136  0.526253  1
  Ti  Ti62  1  1.011983  0.401792  0.482455  1
  Ti  Ti63  1  0.036372  0.936945  0.534359  1
  Ti  Ti64  1  0.471463  0.089993  0.517157  1
  Ti  Ti65  1  0.461225  0.796846  0.501235  1
  Ti  Ti66  1  0.445935  0.555260  0.465760  1
  Ti  Ti67  1  0.806608  0.738669  0.523267  1
  Ti  Ti68  1  0.792680  0.499396  0.487679  1
  Ti  Ti69  1  0.145748  0.387956  0.531273  1
  Ti  Ti70  1  0.787103  0.205181  0.473096  1
  Ti  Ti71  1  0.127504  0.147970  0.494340  1
  Ti  Ti72  1  0.107059  0.908169  0.458063  1
  Ti  Ti73  1  0.565500  0.299491  0.478703  1
  Ti  Ti74  1  0.556918  1.006634  0.463001  1
  Ti  Ti75  1  0.580404  0.543054  0.513442  1
  Ti  Ti76  1  0.901895  0.951395  0.485503  1
  Ti  Ti77  1  0.884743  0.710875  0.448907  1
  Ti  Ti78  1  0.236964  0.599355  0.492621  1
  Ti  Ti79  1  0.921505  0.191242  0.521480  1
  Ti  Ti80  1  0.222119  0.361176  0.456440  1
  Ti  Ti81  1  0.241392  0.893494  0.506797  1
  Ti  Ti82  1  0.399283  0.127768  0.591100  1
  Ti  Ti83  1  0.373897  0.880618  0.555360  1
  Ti  Ti84  1  0.370998  0.587624  0.540659  1
  Ti  Ti85  1  0.727575  0.769093  0.596616  1
  Ti  Ti86  1  0.713289  0.528446  0.561230  1
  Ti  Ti87  1  0.059182  0.467414  0.584743  1
  Ti  Ti88  1  0.738761  0.064422  0.612620  1
  Ti  Ti89  1  0.056165  0.175837  0.570245  1
  Ti  Ti90  1  0.069229  0.702361  0.619744  1
  Ti  Ti91  1  0.511031  0.873180  0.602410  1
  Ti  Ti92  1  0.506153  0.577320  0.588370  1
  Ti  Ti93  1  0.489056  0.334540  0.552230  1
  Ti  Ti94  1  0.845070  0.511185  0.608829  1
  Ti  Ti95  1  0.833541  0.271535  0.574429  1
  Ti  Ti96  1  0.198083  0.174117  0.618823  1
  Ti  Ti97  1  0.821262  0.978912  0.558011  1
  Ti  Ti98  1  0.169108  0.924497  0.584335  1
  Ti  Ti99  1  0.152020  0.683756  0.546595  1
  Ti  Ti100  1  0.606574  0.079972  0.564552  1
  Ti  Ti101  1  0.594872  0.785444  0.548826  1
  Ti  Ti102  1  0.622203  0.321096  0.600310  1
  Ti  Ti103  1  0.939362  0.721613  0.571184  1
  Ti  Ti104  1  0.925574  0.484028  0.536012  1
  Ti  Ti105  1  0.281507  0.380356  0.579736  1
  Ti  Ti106  1  0.948258  0.959683  0.605278  1
  Ti  Ti107  1  0.261582  0.134214  0.543365  1
  Ti  Ti108  1  0.284742  0.672214  0.595658  1
  Ti  Ti109  1  0.441225  0.907202  0.680421  1
  Ti  Ti110  1  0.426266  0.669805  0.641802  1
  Ti  Ti111  1  0.417954  0.373547  0.628171  1
  Ti  Ti112  1  0.777596  0.540061  0.685316  1
  Ti  Ti113  1  0.757587  0.302551  0.647818  1
  Ti  Ti114  1  0.102774  0.225980  0.671876  1
  Ti  Ti115  1  0.772324  0.834356  0.697293  1
  Ti  Ti116  1  0.086971  0.948635  0.649312  1
  Ti  Ti117  1  0.111843  0.488555  0.699862  1
  Ti  Ti118  1  0.558960  0.652482  0.689567  1
  Ti  Ti119  1  0.557352  0.351889  0.676906  1
  Ti  Ti120  1  0.532974  0.113952  0.639428  1
  Ti  Ti121  1  0.891993  0.287104  0.695005  1
  Ti  Ti122  1  0.875117  0.042658  0.660848  1
  Ti  Ti123  1  0.206837  0.961076  0.696521  1
  Ti  Ti124  1  0.857882  0.750145  0.644445  1
  Ti  Ti125  1  0.218364  0.709913  0.666888  1
  Ti  Ti126  1  0.191620  0.457913  0.635180  1
  Ti  Ti127  1  0.643505  0.858198  0.649975  1
  Ti  Ti128  1  0.640919  0.560182  0.637171  1
  Ti  Ti129  1  0.667667  0.095037  0.687233  1
  Ti  Ti130  1  0.974125  0.493256  0.655929  1
  Ti  Ti131  1  0.968900  0.251634  0.622942  1
  Ti  Ti132  1  0.337591  0.173085  0.668050  1
  Ti  Ti133  1  1.000055  0.747824  0.689570  1
  Ti  Ti134  1  0.312588  0.926588  0.631888  1
  Ti  Ti135  1  0.340926  0.468445  0.681538  1
