# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86019063
_cell_length_b   13.03827499
_cell_length_c   48.40779456
_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   Ti96
_cell_volume   3605.0308003
_cell_formula_units_Z   96
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  0.714152  0.925360  0.278112  1
  Ti  Ti2  1  0.872691  0.242327  0.295370  1
  Ti  Ti3  1  0.030287  0.557789  0.314637  1
  Ti  Ti4  1  0.872691  0.742327  0.295370  1
  Ti  Ti5  1  0.030287  0.057789  0.314637  1
  Ti  Ti6  1  0.714152  0.425360  0.278112  1
  Ti  Ti7  1  0.372691  0.742327  0.295370  1
  Ti  Ti8  1  0.530287  0.057789  0.314637  1
  Ti  Ti9  1  0.214152  0.425360  0.278112  1
  Ti  Ti10  1  0.214152  0.925360  0.278112  1
  Ti  Ti11  1  0.372691  0.242327  0.295370  1
  Ti  Ti12  1  0.530287  0.557789  0.314637  1
  Ti  Ti13  1  0.187734  0.872856  0.333622  1
  Ti  Ti14  1  0.345615  0.188865  0.353278  1
  Ti  Ti15  1  0.503140  0.504110  0.373097  1
  Ti  Ti16  1  0.345615  0.688865  0.353278  1
  Ti  Ti17  1  0.503140  0.004110  0.373097  1
  Ti  Ti18  1  0.187734  0.372856  0.333622  1
  Ti  Ti19  1  0.845615  0.688865  0.353278  1
  Ti  Ti20  1  0.003140  0.004110  0.373097  1
  Ti  Ti21  1  0.687734  0.372856  0.333622  1
  Ti  Ti22  1  0.687734  0.872856  0.333622  1
  Ti  Ti23  1  0.845615  0.188865  0.353278  1
  Ti  Ti24  1  0.003140  0.504110  0.373097  1
  Ti  Ti25  1  0.660847  0.819728  0.392815  1
  Ti  Ti26  1  0.818566  0.135359  0.412498  1
  Ti  Ti27  1  0.976273  0.450971  0.432239  1
  Ti  Ti28  1  0.818566  0.635359  0.412498  1
  Ti  Ti29  1  0.976273  0.950971  0.432239  1
  Ti  Ti30  1  0.660847  0.319728  0.392815  1
  Ti  Ti31  1  0.318566  0.635359  0.412498  1
  Ti  Ti32  1  0.476273  0.950971  0.432239  1
  Ti  Ti33  1  0.160847  0.319728  0.392815  1
  Ti  Ti34  1  0.160847  0.819728  0.392815  1
  Ti  Ti35  1  0.318566  0.135359  0.412498  1
  Ti  Ti36  1  0.476273  0.450971  0.432239  1
  Ti  Ti37  1  0.133969  0.766558  0.451944  1
  Ti  Ti38  1  0.291687  0.082190  0.471658  1
  Ti  Ti39  1  0.449390  0.397792  0.491374  1
  Ti  Ti40  1  0.291687  0.582190  0.471658  1
  Ti  Ti41  1  0.449390  0.897792  0.491374  1
  Ti  Ti42  1  0.133969  0.266558  0.451944  1
  Ti  Ti43  1  0.791687  0.582190  0.471658  1
  Ti  Ti44  1  0.949390  0.897792  0.491374  1
  Ti  Ti45  1  0.633969  0.266558  0.451944  1
  Ti  Ti46  1  0.633969  0.766558  0.451944  1
  Ti  Ti47  1  0.791687  0.082190  0.471658  1
  Ti  Ti48  1  0.949390  0.397792  0.491374  1
  Ti  Ti49  1  0.607099  0.713405  0.511088  1
  Ti  Ti50  1  0.764802  0.029007  0.530804  1
  Ti  Ti51  1  0.922520  0.344640  0.550518  1
  Ti  Ti52  1  0.764802  0.529007  0.530804  1
  Ti  Ti53  1  0.922520  0.844640  0.550518  1
  Ti  Ti54  1  0.607099  0.213405  0.511088  1
  Ti  Ti55  1  0.264802  0.529007  0.530804  1
  Ti  Ti56  1  0.422520  0.844640  0.550518  1
  Ti  Ti57  1  0.107099  0.213405  0.511088  1
  Ti  Ti58  1  0.107099  0.713405  0.511088  1
  Ti  Ti59  1  0.264802  0.029007  0.530804  1
  Ti  Ti60  1  0.422520  0.344640  0.550518  1
  Ti  Ti61  1  0.080216  0.660226  0.570222  1
  Ti  Ti62  1  0.237924  0.975838  0.589964  1
  Ti  Ti63  1  0.395642  0.291469  0.609647  1
  Ti  Ti64  1  0.237924  0.475838  0.589964  1
  Ti  Ti65  1  0.395642  0.791469  0.609647  1
  Ti  Ti66  1  0.080216  0.160226  0.570222  1
  Ti  Ti67  1  0.737924  0.475838  0.589964  1
  Ti  Ti68  1  0.895642  0.791469  0.609647  1
  Ti  Ti69  1  0.580216  0.160226  0.570222  1
  Ti  Ti70  1  0.580216  0.660226  0.570222  1
  Ti  Ti71  1  0.737924  0.975838  0.589964  1
  Ti  Ti72  1  0.895642  0.291469  0.609647  1
  Ti  Ti73  1  0.553349  0.607088  0.629365  1
  Ti  Ti74  1  0.710875  0.922333  0.649184  1
  Ti  Ti75  1  0.868756  0.238342  0.668840  1
  Ti  Ti76  1  0.710875  0.422333  0.649184  1
  Ti  Ti77  1  0.868756  0.738342  0.668840  1
  Ti  Ti78  1  0.553349  0.107088  0.629365  1
  Ti  Ti79  1  0.210875  0.422333  0.649184  1
  Ti  Ti80  1  0.368756  0.738342  0.668840  1
  Ti  Ti81  1  0.053349  0.107088  0.629365  1
  Ti  Ti82  1  0.053349  0.607088  0.629365  1
  Ti  Ti83  1  0.210875  0.922333  0.649184  1
  Ti  Ti84  1  0.368756  0.238342  0.668840  1
  Ti  Ti85  1  0.026202  0.553409  0.687825  1
  Ti  Ti86  1  0.183798  0.868870  0.707092  1
  Ti  Ti87  1  0.342337  0.185838  0.724350  1
  Ti  Ti88  1  0.183798  0.368870  0.707092  1
  Ti  Ti89  1  0.342337  0.685838  0.724350  1
  Ti  Ti90  1  0.026202  0.053409  0.687825  1
  Ti  Ti91  1  0.683798  0.368870  0.707092  1
  Ti  Ti92  1  0.842337  0.685838  0.724350  1
  Ti  Ti93  1  0.526202  0.053409  0.687825  1
  Ti  Ti94  1  0.526202  0.553409  0.687825  1
  Ti  Ti95  1  0.683798  0.868870  0.707092  1
  Ti  Ti96  1  0.842337  0.185838  0.724350  1
