# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.70671265
_cell_length_b   11.13651061
_cell_length_c   47.79062318
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.08819594
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti156
_cell_volume   6133.54923949
_cell_formula_units_Z   156
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  0.536079  0.131241  0.289213  1
  Ti  Ti2  1  0.921849  0.152424  0.278590  1
  Ti  Ti3  1  0.147559  0.112426  0.297864  1
  Ti  Ti4  1  0.536079  0.631241  0.289213  1
  Ti  Ti5  1  0.921849  0.652424  0.278590  1
  Ti  Ti6  1  0.147559  0.612426  0.297864  1
  Ti  Ti7  1  0.321561  0.343215  0.306714  1
  Ti  Ti8  1  0.707486  0.363787  0.296272  1
  Ti  Ti9  1  0.092981  0.386732  0.286416  1
  Ti  Ti10  1  0.321561  0.843215  0.306714  1
  Ti  Ti11  1  0.707486  0.863787  0.296272  1
  Ti  Ti12  1  0.092981  0.886732  0.286416  1
  Ti  Ti13  1  0.373605  0.069844  0.319736  1
  Ti  Ti14  1  0.761625  0.088597  0.309084  1
  Ti  Ti15  1  0.986325  0.052649  0.333592  1
  Ti  Ti16  1  0.373605  0.569844  0.319736  1
  Ti  Ti17  1  0.761625  0.588597  0.309084  1
  Ti  Ti18  1  0.986325  0.552649  0.333592  1
  Ti  Ti19  1  0.161491  0.284442  0.342397  1
  Ti  Ti20  1  0.547327  0.307028  0.330422  1
  Ti  Ti21  1  0.934252  0.327173  0.319602  1
  Ti  Ti22  1  0.161491  0.784442  0.342397  1
  Ti  Ti23  1  0.547327  0.807028  0.330422  1
  Ti  Ti24  1  0.934252  0.827173  0.319602  1
  Ti  Ti25  1  0.211913  0.011648  0.355064  1
  Ti  Ti26  1  0.599209  0.032098  0.344463  1
  Ti  Ti27  1  0.823142  0.992752  0.367319  1
  Ti  Ti28  1  0.211913  0.511648  0.355064  1
  Ti  Ti29  1  0.599209  0.532098  0.344463  1
  Ti  Ti30  1  0.823142  0.492752  0.367319  1
  Ti  Ti31  1  0.999256  0.226433  0.377037  1
  Ti  Ti32  1  0.386479  0.244920  0.364520  1
  Ti  Ti33  1  0.773262  0.265027  0.353398  1
  Ti  Ti34  1  0.999256  0.726433  0.377037  1
  Ti  Ti35  1  0.386479  0.744920  0.364520  1
  Ti  Ti36  1  0.773262  0.765027  0.353398  1
  Ti  Ti37  1  0.049282  0.952965  0.390404  1
  Ti  Ti38  1  0.435717  0.973111  0.378283  1
  Ti  Ti39  1  0.661311  0.933115  0.401787  1
  Ti  Ti40  1  0.049282  0.452965  0.390404  1
  Ti  Ti41  1  0.435717  0.473111  0.378283  1
  Ti  Ti42  1  0.661311  0.433115  0.401787  1
  Ti  Ti43  1  0.836787  0.166848  0.411463  1
  Ti  Ti44  1  0.224645  0.185758  0.399881  1
  Ti  Ti45  1  0.611020  0.207008  0.388267  1
  Ti  Ti46  1  0.836787  0.666848  0.411463  1
  Ti  Ti47  1  0.224645  0.685758  0.399881  1
  Ti  Ti48  1  0.611020  0.707008  0.388267  1
  Ti  Ti49  1  0.886446  0.893906  0.425030  1
  Ti  Ti50  1  0.274355  0.912992  0.413012  1
  Ti  Ti51  1  0.498870  0.874150  0.436354  1
  Ti  Ti52  1  0.886446  0.393906  0.425030  1
  Ti  Ti53  1  0.274355  0.412992  0.413012  1
  Ti  Ti54  1  0.498870  0.374150  0.436354  1
  Ti  Ti55  1  0.674347  0.107474  0.446153  1
  Ti  Ti56  1  0.062184  0.126921  0.434743  1
  Ti  Ti57  1  0.449358  0.146799  0.422827  1
  Ti  Ti58  1  0.674347  0.607474  0.446153  1
  Ti  Ti59  1  0.062184  0.626921  0.434743  1
  Ti  Ti60  1  0.449358  0.646799  0.422827  1
  Ti  Ti61  1  0.724112  0.834404  0.459612  1
  Ti  Ti62  1  0.111861  0.854066  0.448009  1
  Ti  Ti63  1  0.336772  0.814469  0.471012  1
  Ti  Ti64  1  0.724112  0.334404  0.459612  1
  Ti  Ti65  1  0.111861  0.354066  0.448009  1
  Ti  Ti66  1  0.336772  0.314469  0.471012  1
  Ti  Ti67  1  0.512160  0.047884  0.480841  1
  Ti  Ti68  1  0.899627  0.067779  0.469403  1
  Ti  Ti69  1  0.287170  0.087172  0.457716  1
  Ti  Ti70  1  0.512160  0.547884  0.480841  1
  Ti  Ti71  1  0.899627  0.567779  0.469403  1
  Ti  Ti72  1  0.287170  0.587172  0.457716  1
  Ti  Ti73  1  0.561811  0.774991  0.494267  1
  Ti  Ti74  1  0.949255  0.794922  0.482784  1
  Ti  Ti75  1  0.174371  0.755227  0.505802  1
  Ti  Ti76  1  0.561811  0.274991  0.494267  1
  Ti  Ti77  1  0.949255  0.294922  0.482784  1
  Ti  Ti78  1  0.174371  0.255227  0.505802  1
  Ti  Ti79  1  0.349832  0.988349  0.515560  1
  Ti  Ti80  1  0.737276  0.008280  0.504077  1
  Ti  Ti81  1  0.124716  0.028044  0.492542  1
  Ti  Ti82  1  0.349832  0.488349  0.515560  1
  Ti  Ti83  1  0.737276  0.508280  0.504077  1
  Ti  Ti84  1  0.124716  0.528044  0.492542  1
  Ti  Ti85  1  0.399460  0.715492  0.528941  1
  Ti  Ti86  1  0.786927  0.735386  0.517504  1
  Ti  Ti87  1  0.011917  0.696099  0.540628  1
  Ti  Ti88  1  0.399460  0.215492  0.528941  1
  Ti  Ti89  1  0.786927  0.235386  0.517504  1
  Ti  Ti90  1  0.011917  0.196099  0.540628  1
  Ti  Ti91  1  0.187226  0.929205  0.550335  1
  Ti  Ti92  1  0.574975  0.948867  0.538732  1
  Ti  Ti93  1  0.962315  0.968802  0.527332  1
  Ti  Ti94  1  0.187226  0.429205  0.550335  1
  Ti  Ti95  1  0.574975  0.448867  0.538732  1
  Ti  Ti96  1  0.962315  0.468802  0.527332  1
  Ti  Ti97  1  0.236903  0.656349  0.563601  1
  Ti  Ti98  1  0.624740  0.675797  0.552191  1
  Ti  Ti99  1  0.849729  0.636472  0.575517  1
  Ti  Ti100  1  0.236903  0.156349  0.563601  1
  Ti  Ti101  1  0.624740  0.175797  0.552191  1
  Ti  Ti102  1  0.849729  0.136472  0.575517  1
  Ti  Ti103  1  0.024732  0.870279  0.585332  1
  Ti  Ti104  1  0.412641  0.889365  0.573314  1
  Ti  Ti105  1  0.800217  0.909121  0.561990  1
  Ti  Ti106  1  0.024732  0.370279  0.585332  1
  Ti  Ti107  1  0.412641  0.389365  0.573314  1
  Ti  Ti108  1  0.800217  0.409121  0.561990  1
  Ti  Ti109  1  0.074442  0.597513  0.598463  1
  Ti  Ti110  1  0.462300  0.616423  0.586881  1
  Ti  Ti111  1  0.688067  0.576263  0.610078  1
  Ti  Ti112  1  0.074442  0.097513  0.598463  1
  Ti  Ti113  1  0.462300  0.116423  0.586881  1
  Ti  Ti114  1  0.688067  0.076263  0.610078  1
  Ti  Ti115  1  0.863370  0.810160  0.620061  1
  Ti  Ti116  1  0.249805  0.830306  0.607940  1
  Ti  Ti117  1  0.637776  0.850156  0.596557  1
  Ti  Ti118  1  0.863370  0.310160  0.620061  1
  Ti  Ti119  1  0.249805  0.330306  0.607940  1
  Ti  Ti120  1  0.637776  0.350156  0.596557  1
  Ti  Ti121  1  0.912608  0.538351  0.633824  1
  Ti  Ti122  1  0.299831  0.556838  0.621308  1
  Ti  Ti123  1  0.525825  0.518244  0.644946  1
  Ti  Ti124  1  0.912608  0.038351  0.633824  1
  Ti  Ti125  1  0.299831  0.056838  0.621308  1
  Ti  Ti126  1  0.525825  0.018244  0.644946  1
  Ti  Ti127  1  0.699878  0.751173  0.653881  1
  Ti  Ti128  1  0.087174  0.771623  0.643280  1
  Ti  Ti129  1  0.475945  0.790519  0.631025  1
  Ti  Ti130  1  0.699878  0.251173  0.653881  1
  Ti  Ti131  1  0.087174  0.271623  0.643280  1
  Ti  Ti132  1  0.475945  0.290519  0.631025  1
  Ti  Ti133  1  0.751759  0.476243  0.667922  1
  Ti  Ti134  1  0.137596  0.498829  0.655947  1
  Ti  Ti135  1  0.364835  0.456098  0.678742  1
  Ti  Ti136  1  0.751759  0.976243  0.667922  1
  Ti  Ti137  1  0.137596  0.998829  0.655947  1
  Ti  Ti138  1  0.364835  0.956098  0.678742  1
  Ti  Ti139  1  0.537462  0.694674  0.689260  1
  Ti  Ti140  1  0.925482  0.713427  0.678608  1
  Ti  Ti141  1  0.312762  0.730622  0.664752  1
  Ti  Ti142  1  0.537462  0.194674  0.689260  1
  Ti  Ti143  1  0.925482  0.213427  0.678608  1
  Ti  Ti144  1  0.312762  0.230622  0.664752  1
  Ti  Ti145  1  0.591601  0.419484  0.702073  1
  Ti  Ti146  1  0.977526  0.440056  0.691631  1
  Ti  Ti147  1  0.206106  0.396539  0.711928  1
  Ti  Ti148  1  0.591601  0.919484  0.702073  1
  Ti  Ti149  1  0.977526  0.940056  0.691631  1
  Ti  Ti150  1  0.206106  0.896539  0.711928  1
  Ti  Ti151  1  0.377238  0.630847  0.719754  1
  Ti  Ti152  1  0.763007  0.652030  0.709131  1
  Ti  Ti153  1  0.151528  0.670845  0.700480  1
  Ti  Ti154  1  0.377238  0.130847  0.719754  1
  Ti  Ti155  1  0.763007  0.152030  0.709131  1
  Ti  Ti156  1  0.151528  0.170845  0.700480  1
