# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88685437
_cell_length_b   13.12070100
_cell_length_c   45.92669134
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti84
_cell_volume   3457.5406327
_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  0.791504  0.080058  0.303089  1
  Ti  Ti2  1  0.950572  0.398211  0.322487  1
  Ti  Ti3  1  0.636822  0.771213  0.283440  1
  Ti  Ti4  1  0.108443  0.214060  0.343259  1
  Ti  Ti5  1  0.793938  0.585031  0.302346  1
  Ti  Ti6  1  0.951090  0.899504  0.323736  1
  Ti  Ti7  1  0.608443  0.214060  0.343259  1
  Ti  Ti8  1  0.293938  0.585031  0.302346  1
  Ti  Ti9  1  0.451090  0.899504  0.323736  1
  Ti  Ti10  1  0.291504  0.080058  0.303089  1
  Ti  Ti11  1  0.450572  0.398211  0.322487  1
  Ti  Ti12  1  0.136822  0.771213  0.283440  1
  Ti  Ti13  1  0.266770  0.030887  0.364636  1
  Ti  Ti14  1  0.424001  0.345300  0.384825  1
  Ti  Ti15  1  0.108469  0.714220  0.343851  1
  Ti  Ti16  1  0.582211  0.161835  0.406155  1
  Ti  Ti17  1  0.265933  0.529131  0.363967  1
  Ti  Ti18  1  0.424208  0.845798  0.385518  1
  Ti  Ti19  1  0.082211  0.161835  0.406155  1
  Ti  Ti20  1  0.765933  0.529131  0.363967  1
  Ti  Ti21  1  0.924208  0.845798  0.385518  1
  Ti  Ti22  1  0.766770  0.030887  0.364636  1
  Ti  Ti23  1  0.924001  0.345300  0.384825  1
  Ti  Ti24  1  0.608469  0.714220  0.343851  1
  Ti  Ti25  1  0.739930  0.977331  0.427227  1
  Ti  Ti26  1  0.897611  0.292706  0.447902  1
  Ti  Ti27  1  0.581656  0.660700  0.406156  1
  Ti  Ti28  1  0.055528  0.108614  0.468958  1
  Ti  Ti29  1  0.739510  0.476424  0.426849  1
  Ti  Ti30  1  0.897508  0.792509  0.448018  1
  Ti  Ti31  1  0.555528  0.108614  0.468958  1
  Ti  Ti32  1  0.239510  0.476424  0.426849  1
  Ti  Ti33  1  0.397508  0.792509  0.448018  1
  Ti  Ti34  1  0.239930  0.977331  0.427227  1
  Ti  Ti35  1  0.397611  0.292706  0.447902  1
  Ti  Ti36  1  0.081656  0.660700  0.406156  1
  Ti  Ti37  1  0.213259  0.924113  0.489848  1
  Ti  Ti38  1  0.371073  0.239790  0.510760  1
  Ti  Ti39  1  0.055194  0.607901  0.468788  1
  Ti  Ti40  1  0.528980  0.055659  0.531696  1
  Ti  Ti41  1  0.213102  0.423771  0.489724  1
  Ti  Ti42  1  0.370915  0.739447  0.510636  1
  Ti  Ti43  1  0.028980  0.055659  0.531696  1
  Ti  Ti44  1  0.713102  0.423771  0.489724  1
  Ti  Ti45  1  0.870915  0.739447  0.510636  1
  Ti  Ti46  1  0.713259  0.924113  0.489848  1
  Ti  Ti47  1  0.871073  0.239790  0.510760  1
  Ti  Ti48  1  0.555194  0.607901  0.468788  1
  Ti  Ti49  1  0.686666  0.871052  0.552465  1
  Ti  Ti50  1  0.844664  0.187136  0.573634  1
  Ti  Ti51  1  0.528646  0.554947  0.531526  1
  Ti  Ti52  1  1.002518  0.002860  0.594328  1
  Ti  Ti53  1  0.686563  0.370855  0.552582  1
  Ti  Ti54  1  0.844244  0.686230  0.573256  1
  Ti  Ti55  1  0.502518  0.002860  0.594328  1
  Ti  Ti56  1  0.186563  0.370855  0.552582  1
  Ti  Ti57  1  0.344244  0.686230  0.573256  1
  Ti  Ti58  1  0.186666  0.871052  0.552465  1
  Ti  Ti59  1  0.344664  0.187136  0.573634  1
  Ti  Ti60  1  0.028646  0.554947  0.531526  1
  Ti  Ti61  1  0.159966  0.817763  0.614966  1
  Ti  Ti62  1  0.318242  0.134430  0.636517  1
  Ti  Ti63  1  1.001963  0.501725  0.594329  1
  Ti  Ti64  1  0.475705  0.949340  0.656632  1
  Ti  Ti65  1  0.160174  0.318261  0.615659  1
  Ti  Ti66  1  0.317404  0.632674  0.635847  1
  Ti  Ti67  1  0.975705  0.949340  0.656632  1
  Ti  Ti68  1  0.660174  0.318261  0.615659  1
  Ti  Ti69  1  0.817404  0.632674  0.635847  1
  Ti  Ti70  1  0.659966  0.817763  0.614966  1
  Ti  Ti71  1  0.818242  0.134430  0.636517  1
  Ti  Ti72  1  0.501963  0.501725  0.594329  1
  Ti  Ti73  1  0.633085  0.764057  0.676747  1
  Ti  Ti74  1  0.790236  0.078530  0.698138  1
  Ti  Ti75  1  0.475732  0.449501  0.657224  1
  Ti  Ti76  1  0.947353  0.892348  0.717044  1
  Ti  Ti77  1  0.633602  0.265350  0.677996  1
  Ti  Ti78  1  0.792670  0.583503  0.697395  1
  Ti  Ti79  1  0.447353  0.892348  0.717044  1
  Ti  Ti80  1  0.133602  0.265350  0.677996  1
  Ti  Ti81  1  0.292670  0.583503  0.697395  1
  Ti  Ti82  1  0.133085  0.764057  0.676747  1
  Ti  Ti83  1  0.290236  0.078530  0.698138  1
  Ti  Ti84  1  0.975732  0.449501  0.657224  1
