# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87804322
_cell_length_b   12.26270537
_cell_length_c   50.33145797
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti45
_cell_volume   1776.32781574
_cell_formula_units_Z   45
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  1.001368  0.424417  0.310450  1
  Ti  Ti2  1  1.001368  0.070717  0.336608  1
  Ti  Ti3  1  1.001368  0.790142  0.280949  1
  Ti  Ti4  1  0.501368  0.282147  0.347895  1
  Ti  Ti5  1  0.501368  0.997834  0.286258  1
  Ti  Ti6  1  0.501368  0.636088  0.314815  1
  Ti  Ti7  1  0.501368  0.219449  0.296176  1
  Ti  Ti8  1  0.501368  0.855342  0.328093  1
  Ti  Ti9  1  0.501368  0.499900  0.358037  1
  Ti  Ti10  1  1.001368  0.355362  0.398271  1
  Ti  Ti11  1  1.001368  0.998085  0.428565  1
  Ti  Ti12  1  1.001368  0.711547  0.367166  1
  Ti  Ti13  1  0.501368  0.212246  0.438668  1
  Ti  Ti14  1  0.501368  0.927198  0.378001  1
  Ti  Ti15  1  0.501368  0.569685  0.408417  1
  Ti  Ti16  1  0.501368  0.140758  0.388164  1
  Ti  Ti17  1  0.501368  0.783982  0.418239  1
  Ti  Ti18  1  0.501368  0.426824  0.448851  1
  Ti  Ti19  1  0.001368  0.283879  0.489298  1
  Ti  Ti20  1  1.001368  0.926770  0.519492  1
  Ti  Ti21  1  1.001368  0.641037  0.458869  1
  Ti  Ti22  1  0.501368  0.141146  0.529678  1
  Ti  Ti23  1  0.501368  0.855018  0.468857  1
  Ti  Ti24  1  0.501368  0.497800  0.499368  1
  Ti  Ti25  1  0.501368  0.069675  0.479161  1
  Ti  Ti26  1  0.501368  0.712501  0.509397  1
  Ti  Ti27  1  0.501368  0.355637  0.540013  1
  Ti  Ti28  1  1.001368  0.212804  0.580403  1
  Ti  Ti29  1  0.001368  0.855304  0.610300  1
  Ti  Ti30  1  1.001368  0.569205  0.549906  1
  Ti  Ti31  1  0.501368  0.070680  0.620507  1
  Ti  Ti32  1  0.501368  0.783743  0.559857  1
  Ti  Ti33  1  0.501368  0.425833  0.590740  1
  Ti  Ti34  1  0.501368  0.998449  0.570080  1
  Ti  Ti35  1  0.501368  0.640351  0.600176  1
  Ti  Ti36  1  0.501368  0.284191  0.631503  1
  Ti  Ti37  1  1.001368  0.138966  0.671955  1
  Ti  Ti38  1  0.001368  0.785504  0.697743  1
  Ti  Ti39  1  1.001368  0.498621  0.641684  1
  Ti  Ti40  1  0.501368  0.988253  0.712421  1
  Ti  Ti41  1  0.501368  0.710535  0.650364  1
  Ti  Ti42  1  0.501368  0.355788  0.681713  1
  Ti  Ti43  1  0.501368  0.928237  0.660527  1
  Ti  Ti44  1  0.501368  0.574514  0.693147  1
  Ti  Ti45  1  0.501368  0.207289  0.721569  1
