# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.12546624
_cell_length_b   12.50309487
_cell_length_c   47.28217944
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   130.04448308
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti180
_cell_volume   7297.9034407
_cell_formula_units_Z   180
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  0.280271  0.077108  0.296540  1
  Ti  Ti2  1  0.780271  0.077108  0.296540  1
  Ti  Ti3  1  0.709301  0.458727  0.285545  1
  Ti  Ti4  1  0.209301  0.458727  0.285545  1
  Ti  Ti5  1  0.921521  0.542773  0.292195  1
  Ti  Ti6  1  0.421521  0.542773  0.292195  1
  Ti  Ti7  1  0.352527  0.913648  0.281579  1
  Ti  Ti8  1  0.852527  0.913648  0.281579  1
  Ti  Ti9  1  0.143997  0.634599  0.300385  1
  Ti  Ti10  1  0.643997  0.634599  0.300385  1
  Ti  Ti11  1  0.566001  1.000336  0.288007  1
  Ti  Ti12  1  0.066001  1.000336  0.288007  1
  Ti  Ti13  1  0.426099  0.350380  0.321392  1
  Ti  Ti14  1  0.926099  0.350380  0.321392  1
  Ti  Ti15  1  0.858524  0.722924  0.311114  1
  Ti  Ti16  1  0.358524  0.722924  0.311114  1
  Ti  Ti17  1  0.069841  0.805906  0.317326  1
  Ti  Ti18  1  0.569841  0.805906  0.317326  1
  Ti  Ti19  1  0.504136  0.186712  0.304671  1
  Ti  Ti20  1  1.004136  0.186712  0.304671  1
  Ti  Ti21  1  0.271503  0.890480  0.333691  1
  Ti  Ti22  1  0.771503  0.890480  0.333691  1
  Ti  Ti23  1  0.714306  0.263191  0.314594  1
  Ti  Ti24  1  0.214306  0.263191  0.314594  1
  Ti  Ti25  1  0.549392  0.606490  0.353508  1
  Ti  Ti26  1  0.049392  0.606490  0.353508  1
  Ti  Ti27  1  0.982453  0.982957  0.340254  1
  Ti  Ti28  1  0.482453  0.982957  0.340254  1
  Ti  Ti29  1  0.191037  0.058842  0.349302  1
  Ti  Ti30  1  0.691037  0.058842  0.349302  1
  Ti  Ti31  1  0.629396  0.438988  0.337878  1
  Ti  Ti32  1  0.129396  0.438988  0.337878  1
  Ti  Ti33  1  0.408188  0.157563  0.358606  1
  Ti  Ti34  1  0.908188  0.157563  0.358606  1
  Ti  Ti35  1  0.836988  0.519314  0.345171  1
  Ti  Ti36  1  0.336988  0.519314  0.345171  1
  Ti  Ti37  1  0.678293  0.864775  0.385235  1
  Ti  Ti38  1  0.178293  0.864775  0.385235  1
  Ti  Ti39  1  0.118612  0.238026  0.368810  1
  Ti  Ti40  1  0.618612  0.238026  0.368810  1
  Ti  Ti41  1  0.329265  0.322513  0.376422  1
  Ti  Ti42  1  0.829265  0.322513  0.376422  1
  Ti  Ti43  1  0.762601  0.696115  0.365317  1
  Ti  Ti44  1  0.262601  0.696115  0.365317  1
  Ti  Ti45  1  0.536644  0.412717  0.389921  1
  Ti  Ti46  1  0.036644  0.412717  0.389921  1
  Ti  Ti47  1  0.973457  0.781957  0.371600  1
  Ti  Ti48  1  0.473457  0.781957  0.371600  1
  Ti  Ti49  1  0.814566  0.129001  0.412667  1
  Ti  Ti50  1  0.314566  0.129001  0.412667  1
  Ti  Ti51  1  0.246036  0.495115  0.398764  1
  Ti  Ti52  1  0.746036  0.495115  0.398764  1
  Ti  Ti53  1  0.457558  0.582594  0.407047  1
  Ti  Ti54  1  0.957558  0.582594  0.407047  1
  Ti  Ti55  1  0.891445  0.957411  0.393726  1
  Ti  Ti56  1  0.391445  0.957411  0.393726  1
  Ti  Ti57  1  0.668831  0.670700  0.418898  1
  Ti  Ti58  1  0.168831  0.670700  0.418898  1
  Ti  Ti59  1  0.100759  0.036232  0.402988  1
  Ti  Ti60  1  0.600759  0.036232  0.402988  1
  Ti  Ti61  1  0.945445  0.387790  0.442732  1
  Ti  Ti62  1  0.445445  0.387790  0.442732  1
  Ti  Ti63  1  0.380515  0.757117  0.426165  1
  Ti  Ti64  1  0.880515  0.757117  0.426165  1
  Ti  Ti65  1  0.587924  0.840361  0.438075  1
  Ti  Ti66  1  0.087924  0.840361  0.438075  1
  Ti  Ti67  1  0.025632  0.214136  0.422797  1
  Ti  Ti68  1  0.525632  0.214136  0.422797  1
  Ti  Ti69  1  0.799831  0.931395  0.447574  1
  Ti  Ti70  1  0.299831  0.931395  0.447574  1
  Ti  Ti71  1  0.236034  0.297653  0.431145  1
  Ti  Ti72  1  0.736034  0.297653  0.431145  1
  Ti  Ti73  1  0.076693  0.645500  0.472550  1
  Ti  Ti74  1  0.576693  0.645500  0.472550  1
  Ti  Ti75  1  0.509668  0.013058  0.456694  1
  Ti  Ti76  1  0.009668  0.013058  0.456694  1
  Ti  Ti77  1  0.721778  0.102416  0.466568  1
  Ti  Ti78  1  0.221778  0.102416  0.466568  1
  Ti  Ti79  1  0.154765  0.471430  0.452562  1
  Ti  Ti80  1  0.654765  0.471430  0.452562  1
  Ti  Ti81  1  0.933117  0.189738  0.476547  1
  Ti  Ti82  1  0.433117  0.189738  0.476547  1
  Ti  Ti83  1  0.366184  0.558251  0.460763  1
  Ti  Ti84  1  0.866184  0.558251  0.460763  1
  Ti  Ti85  1  0.207733  0.906080  0.501592  1
  Ti  Ti86  1  0.707733  0.906080  0.501592  1
  Ti  Ti87  1  0.643339  0.272889  0.485365  1
  Ti  Ti88  1  0.143339  0.272889  0.485365  1
  Ti  Ti89  1  0.854078  0.362956  0.495800  1
  Ti  Ti90  1  0.354078  0.362956  0.495800  1
  Ti  Ti91  1  0.288348  0.732411  0.480414  1
  Ti  Ti92  1  0.788348  0.732411  0.480414  1
  Ti  Ti93  1  0.062724  0.446558  0.506543  1
  Ti  Ti94  1  0.562724  0.446558  0.506543  1
  Ti  Ti95  1  0.496994  0.816014  0.491157  1
  Ti  Ti96  1  0.996994  0.816014  0.491157  1
  Ti  Ti97  1  0.341403  0.165912  0.530264  1
  Ti  Ti98  1  0.841403  0.165912  0.530264  1
  Ti  Ti99  1  0.774378  0.533469  0.514407  1
  Ti  Ti100  1  0.274378  0.533469  0.514407  1
  Ti  Ti101  1  0.984888  0.620719  0.526195  1
  Ti  Ti102  1  0.484888  0.620719  0.526195  1
  Ti  Ti103  1  0.417955  0.989231  0.510410  1
  Ti  Ti104  1  0.917955  0.989231  0.510410  1
  Ti  Ti105  1  0.196307  0.707540  0.534395  1
  Ti  Ti106  1  0.696307  0.707540  0.534395  1
  Ti  Ti107  1  0.629294  0.076554  0.520390  1
  Ti  Ti108  1  0.129294  0.076554  0.520390  1
  Ti  Ti109  1  0.470557  0.421852  0.560792  1
  Ti  Ti110  1  0.970557  0.421852  0.560792  1
  Ti  Ti111  1  0.905626  0.791180  0.544225  1
  Ti  Ti112  1  0.405626  0.791180  0.544225  1
  Ti  Ti113  1  0.115037  0.881316  0.555813  1
  Ti  Ti114  1  0.615037  0.881316  0.555813  1
  Ti  Ti115  1  0.551241  0.247575  0.539383  1
  Ti  Ti116  1  0.051241  0.247575  0.539383  1
  Ti  Ti117  1  0.325440  0.964834  0.564160  1
  Ti  Ti118  1  0.825440  0.964834  0.564160  1
  Ti  Ti119  1  0.763148  0.338609  0.548883  1
  Ti  Ti120  1  0.263148  0.338609  0.548883  1
  Ti  Ti121  1  0.605035  0.683855  0.588193  1
  Ti  Ti122  1  0.105035  0.683855  0.588193  1
  Ti  Ti123  1  0.036506  0.049969  0.574290  1
  Ti  Ti124  1  0.536506  0.049969  0.574290  1
  Ti  Ti125  1  0.250312  0.142738  0.583970  1
  Ti  Ti126  1  0.750312  0.142738  0.583970  1
  Ti  Ti127  1  0.682241  0.508270  0.568059  1
  Ti  Ti128  1  0.182241  0.508270  0.568059  1
  Ti  Ti129  1  0.459627  0.221559  0.593231  1
  Ti  Ti130  1  0.959627  0.221559  0.593231  1
  Ti  Ti131  1  0.893514  0.596375  0.579910  1
  Ti  Ti132  1  0.393514  0.596375  0.579910  1
  Ti  Ti133  1  0.732460  0.940944  0.618147  1
  Ti  Ti134  1  0.232460  0.940944  0.618147  1
  Ti  Ti135  1  0.172778  0.314195  0.601722  1
  Ti  Ti136  1  0.672778  0.314195  0.601722  1
  Ti  Ti137  1  0.377615  0.397012  0.615357  1
  Ti  Ti138  1  0.877615  0.397012  0.615357  1
  Ti  Ti139  1  0.814428  0.766253  0.597037  1
  Ti  Ti140  1  0.314428  0.766253  0.597037  1
  Ti  Ti141  1  0.588471  0.482855  0.621641  1
  Ti  Ti142  1  0.088471  0.482855  0.621641  1
  Ti  Ti143  1  0.021807  0.856457  0.610535  1
  Ti  Ti144  1  0.521807  0.856457  0.610535  1
  Ti  Ti145  1  0.868618  0.196013  0.646704  1
  Ti  Ti146  1  0.368618  0.196013  0.646704  1
  Ti  Ti147  1  0.301680  0.572479  0.633449  1
  Ti  Ti148  1  0.801680  0.572479  0.633449  1
  Ti  Ti149  1  0.514084  0.659656  0.641787  1
  Ti  Ti150  1  0.014084  0.659656  0.641787  1
  Ti  Ti151  1  0.942884  0.021406  0.628352  1
  Ti  Ti152  1  0.442884  0.021406  0.628352  1
  Ti  Ti153  1  0.721676  0.739982  0.649080  1
  Ti  Ti154  1  0.221676  0.739982  0.649080  1
  Ti  Ti155  1  0.160035  0.120128  0.637655  1
  Ti  Ti156  1  0.660035  0.120128  0.637655  1
  Ti  Ti157  1  0.992548  0.456046  0.675843  1
  Ti  Ti158  1  0.492548  0.456046  0.675843  1
  Ti  Ti159  1  0.424972  0.828589  0.665565  1
  Ti  Ti160  1  0.924972  0.828589  0.665565  1
  Ti  Ti161  1  0.636766  0.915778  0.672363  1
  Ti  Ti162  1  0.136766  0.915778  0.672363  1
  Ti  Ti163  1  0.079569  0.288490  0.653267  1
  Ti  Ti164  1  0.579569  0.288490  0.653267  1
  Ti  Ti165  1  0.846935  0.992257  0.682287  1
  Ti  Ti166  1  0.346935  0.992257  0.682287  1
  Ti  Ti167  1  0.281230  0.373063  0.669632  1
  Ti  Ti168  1  0.781230  0.373063  0.669632  1
  Ti  Ti169  1  0.141771  0.720243  0.701412  1
  Ti  Ti170  1  0.641771  0.720243  0.701412  1
  Ti  Ti171  1  0.570801  0.101862  0.690417  1
  Ti  Ti172  1  0.070801  0.101862  0.690417  1
  Ti  Ti173  1  0.785070  0.178634  0.698951  1
  Ti  Ti174  1  0.285070  0.178634  0.698951  1
  Ti  Ti175  1  0.207075  0.544371  0.686573  1
  Ti  Ti176  1  0.707075  0.544371  0.686573  1
  Ti  Ti177  1  0.998545  0.265322  0.705379  1
  Ti  Ti178  1  0.498545  0.265322  0.705379  1
  Ti  Ti179  1  0.429551  0.636196  0.694763  1
  Ti  Ti180  1  0.929551  0.636196  0.694763  1
