# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61936012
_cell_length_b   12.59740329
_cell_length_c   46.89354621
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   100.60333387
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti72
_cell_volume   2682.23085617
_cell_formula_units_Z   72
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  0.472094  0.940174  0.295587  1
  Ti  Ti2  1  0.806864  0.610124  0.310238  1
  Ti  Ti3  1  0.130375  0.257001  0.277633  1
  Ti  Ti4  1  0.358472  0.713048  0.289703  1
  Ti  Ti5  1  0.693423  0.383253  0.303446  1
  Ti  Ti6  1  0.038610  0.073881  0.323269  1
  Ti  Ti7  1  0.921618  0.839545  0.317134  1
  Ti  Ti8  1  0.244139  0.484395  0.283070  1
  Ti  Ti9  1  0.583219  0.162920  0.298720  1
  Ti  Ti10  1  0.496207  0.989232  0.351930  1
  Ti  Ti11  1  0.836644  0.670078  0.369395  1
  Ti  Ti12  1  0.156063  0.308708  0.333098  1
  Ti  Ti13  1  0.383900  0.764327  0.345711  1
  Ti  Ti14  1  0.722009  0.440854  0.362652  1
  Ti  Ti15  1  0.066083  0.129177  0.383259  1
  Ti  Ti16  1  0.951235  0.899488  0.376222  1
  Ti  Ti17  1  0.270544  0.537674  0.339125  1
  Ti  Ti18  1  0.608332  0.213483  0.356264  1
  Ti  Ti19  1  0.521810  0.040839  0.410540  1
  Ti  Ti20  1  0.862616  0.722656  0.429163  1
  Ti  Ti21  1  0.181041  0.359129  0.391575  1
  Ti  Ti22  1  0.408437  0.814092  0.404240  1
  Ti  Ti23  1  0.748577  0.494412  0.422563  1
  Ti  Ti24  1  0.091376  0.180233  0.442765  1
  Ti  Ti25  1  0.976903  0.951237  0.435848  1
  Ti  Ti26  1  0.294839  0.586701  0.397746  1
  Ti  Ti27  1  0.634789  0.266852  0.415852  1
  Ti  Ti28  1  0.547133  0.091963  0.469522  1
  Ti  Ti29  1  0.888279  0.774413  0.488543  1
  Ti  Ti30  1  0.205810  0.409100  0.450165  1
  Ti  Ti31  1  0.433499  0.864639  0.463167  1
  Ti  Ti32  1  0.774373  0.546588  0.482081  1
  Ti  Ti33  1  0.116462  0.230843  0.501867  1
  Ti  Ti34  1  0.002318  0.002547  0.495153  1
  Ti  Ti35  1  0.319650  0.636931  0.456616  1
  Ti  Ti36  1  0.660653  0.319008  0.475559  1
  Ti  Ti37  1  0.572727  0.143589  0.528779  1
  Ti  Ti38  1  0.913601  0.825538  0.547692  1
  Ti  Ti39  1  0.230638  0.459334  0.508993  1
  Ti  Ti40  1  0.458821  0.915764  0.522317  1
  Ti  Ti41  1  0.799967  0.598214  0.541338  1
  Ti  Ti42  1  0.141290  0.281077  0.560694  1
  Ti  Ti43  1  0.027450  0.053246  0.554244  1
  Ti  Ti44  1  0.344782  0.687630  0.515707  1
  Ti  Ti45  1  0.686447  0.371169  0.535300  1
  Ti  Ti46  1  0.598523  0.195765  0.588296  1
  Ti  Ti47  1  0.938663  0.876086  0.606620  1
  Ti  Ti48  1  0.255724  0.509944  0.568095  1
  Ti  Ti49  1  0.484484  0.967521  0.581697  1
  Ti  Ti50  1  0.825290  0.649338  0.600319  1
  Ti  Ti51  1  0.166059  0.331048  0.619285  1
  Ti  Ti52  1  0.052261  0.103476  0.613113  1
  Ti  Ti53  1  0.370197  0.738940  0.575011  1
  Ti  Ti54  1  0.712311  0.423325  0.595008  1
  Ti  Ti55  1  0.625091  0.249323  0.648208  1
  Ti  Ti56  1  0.963200  0.925850  0.665148  1
  Ti  Ti57  1  0.281017  0.561000  0.627601  1
  Ti  Ti58  1  0.510456  0.020099  0.641464  1
  Ti  Ti59  1  0.850893  0.700945  0.658929  1
  Ti  Ti60  1  0.191037  0.381469  0.677762  1
  Ti  Ti61  1  0.076556  0.152503  0.671735  1
  Ti  Ti62  1  0.395865  0.790689  0.634638  1
  Ti  Ti63  1  0.738768  0.476694  0.654596  1
  Ti  Ti64  1  0.653677  0.306924  0.707413  1
  Ti  Ti65  1  0.988628  0.977129  0.721156  1
  Ti  Ti66  1  0.308490  0.616296  0.687591  1
  Ti  Ti67  1  0.540236  0.080053  0.700621  1
  Ti  Ti68  1  0.875006  0.750003  0.715272  1
  Ti  Ti69  1  0.216725  0.433176  0.733227  1
  Ti  Ti70  1  0.102961  0.205782  0.727789  1
  Ti  Ti71  1  0.425482  0.850632  0.693725  1
  Ti  Ti72  1  0.763881  0.527257  0.712139  1
