# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99323893
_cell_length_b   10.57240818
_cell_length_c   53.88548851
_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   Ti42
_cell_volume   1705.24636287
_cell_formula_units_Z   42
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  1.049895  0.150725  0.302898  1
  Ti  Ti2  1  1.049895  0.815416  0.269650  1
  Ti  Ti3  1  1.049895  0.545695  0.262141  1
  Ti  Ti4  1  0.549895  0.045960  0.262075  1
  Ti  Ti5  1  0.549895  0.651381  0.302805  1
  Ti  Ti6  1  0.549895  0.315136  0.269742  1
  Ti  Ti7  1  1.049895  0.028765  0.354678  1
  Ti  Ti8  1  1.049895  0.757075  0.343339  1
  Ti  Ti9  1  1.049895  0.423696  0.311513  1
  Ti  Ti10  1  0.549895  0.924550  0.311434  1
  Ti  Ti11  1  0.549895  0.534687  0.353625  1
  Ti  Ti12  1  0.549895  0.253998  0.343340  1
  Ti  Ti13  1  1.049895  0.956906  0.422517  1
  Ti  Ti14  1  1.049895  0.625159  0.398794  1
  Ti  Ti15  1  1.049895  0.359722  0.382848  1
  Ti  Ti16  1  0.549895  0.846573  0.384344  1
  Ti  Ti17  1  0.549895  0.425876  0.424947  1
  Ti  Ti18  1  0.549895  0.142982  0.396608  1
  Ti  Ti19  1  1.049895  0.806661  0.487268  1
  Ti  Ti20  1  1.049895  0.544833  0.461793  1
  Ti  Ti21  1  1.049895  0.214359  0.443367  1
  Ti  Ti22  1  0.549895  0.744646  0.440033  1
  Ti  Ti23  1  0.549895  0.336947  0.483934  1
  Ti  Ti24  1  0.549895  0.006473  0.465508  1
  Ti  Ti25  1  1.049895  0.704733  0.542957  1
  Ti  Ti26  1  1.049895  0.408325  0.530693  1
  Ti  Ti27  1  1.049895  0.125431  0.502354  1
  Ti  Ti28  1  0.549895  0.594400  0.504784  1
  Ti  Ti29  1  0.549895  0.191584  0.544453  1
  Ti  Ti30  1  0.549895  0.926147  0.528507  1
  Ti  Ti31  1  1.049895  0.626756  0.615866  1
  Ti  Ti32  1  1.049895  0.297308  0.583961  1
  Ti  Ti33  1  1.049895  0.016620  0.573676  1
  Ti  Ti34  1  0.549895  0.522541  0.572623  1
  Ti  Ti35  1  0.549895  0.127611  0.615788  1
  Ti  Ti36  1  0.549895  0.794231  0.583962  1
  Ti  Ti37  1  1.049895  0.505346  0.665226  1
  Ti  Ti38  1  1.049895  0.236170  0.657559  1
  Ti  Ti39  1  1.049895  0.899926  0.624496  1
  Ti  Ti40  1  0.549895  0.400581  0.624402  1
  Ti  Ti41  1  0.549895  0.005611  0.665160  1
  Ti  Ti42  1  0.549895  0.735890  0.657651  1
