# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.70313113
_cell_length_b   7.80976579
_cell_length_c   46.65248189
_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   1713.56211049
_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  0.752051  0.113164  0.295703  1
  Ti  Ti2  1  0.752051  0.754167  0.315249  1
  Ti  Ti3  1  0.752051  0.398149  0.336195  1
  Ti  Ti4  1  0.252051  0.181184  0.329435  1
  Ti  Ti5  1  0.252051  0.899199  0.289262  1
  Ti  Ti6  1  0.252051  0.536288  0.308379  1
  Ti  Ti7  1  0.752051  0.038760  0.356740  1
  Ti  Ti8  1  0.752051  0.681949  0.377576  1
  Ti  Ti9  1  0.752051  0.324578  0.398553  1
  Ti  Ti10  1  0.252051  0.109252  0.391555  1
  Ti  Ti11  1  0.252051  0.823037  0.349711  1
  Ti  Ti12  1  0.252051  0.466821  0.370554  1
  Ti  Ti13  1  0.752051  0.967333  0.419481  1
  Ti  Ti14  1  0.752051  0.610213  0.440356  1
  Ti  Ti15  1  0.752051  0.253058  0.461273  1
  Ti  Ti16  1  0.252051  0.037776  0.454224  1
  Ti  Ti17  1  0.252051  0.752071  0.412414  1
  Ti  Ti18  1  0.252051  0.394964  0.433302  1
  Ti  Ti19  1  0.752051  0.895856  0.482178  1
  Ti  Ti20  1  0.752051  0.538700  0.503078  1
  Ti  Ti21  1  0.752051  0.181558  0.523983  1
  Ti  Ti22  1  0.252051  0.966296  0.516917  1
  Ti  Ti23  1  0.252051  0.680593  0.475112  1
  Ti  Ti24  1  0.252051  0.323452  0.496018  1
  Ti  Ti25  1  0.752051  0.824375  0.544871  1
  Ti  Ti26  1  0.752051  0.467187  0.565793  1
  Ti  Ti27  1  0.752051  0.110081  0.586681  1
  Ti  Ti28  1  0.252051  0.894818  0.579614  1
  Ti  Ti29  1  0.252051  0.609093  0.537823  1
  Ti  Ti30  1  0.252051  0.251939  0.558739  1
  Ti  Ti31  1  0.752051  0.752900  0.607540  1
  Ti  Ti32  1  0.752051  0.395331  0.628542  1
  Ti  Ti33  1  0.752051  0.039115  0.649384  1
  Ti  Ti34  1  0.252051  0.823391  0.642355  1
  Ti  Ti35  1  0.252051  0.537574  0.600542  1
  Ti  Ti36  1  0.252051  0.180203  0.621520  1
  Ti  Ti37  1  0.752051  0.680968  0.669660  1
  Ti  Ti38  1  0.752051  0.325863  0.690717  1
  Ti  Ti39  1  0.752051  0.962953  0.709834  1
  Ti  Ti40  1  0.252051  0.748988  0.703392  1
  Ti  Ti41  1  0.252051  0.464002  0.662900  1
  Ti  Ti42  1  0.252051  0.107985  0.683846  1
