# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96166003
_cell_length_b   12.23190233
_cell_length_c   53.01474621
_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   Ti48
_cell_volume   1920.55122803
_cell_formula_units_Z   48
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  0.550781  0.182328  0.300707  1
  Ti  Ti2  1  0.550781  0.920558  0.251790  1
  Ti  Ti3  1  0.550781  0.550781  0.276060  1
  Ti  Ti4  1  1.050781  0.346972  0.272642  1
  Ti  Ti5  1  1.050781  0.125392  0.254874  1
  Ti  Ti6  1  1.050781  0.716887  0.249151  1
  Ti  Ti7  1  0.550781  0.035570  0.344241  1
  Ti  Ti8  1  0.550781  0.773667  0.294629  1
  Ti  Ti9  1  0.550781  0.404611  0.318949  1
  Ti  Ti10  1  1.050781  0.240067  0.347218  1
  Ti  Ti11  1  1.050781  0.978118  0.297567  1
  Ti  Ti12  1  1.050781  0.608215  0.322304  1
  Ti  Ti13  1  0.550781  0.888739  0.387798  1
  Ti  Ti14  1  0.550781  0.665971  0.369057  1
  Ti  Ti15  1  0.550781  0.297519  0.393887  1
  Ti  Ti16  1  1.050781  0.093187  0.390852  1
  Ti  Ti17  1  1.050781  0.831172  0.341177  1
  Ti  Ti18  1  1.050781  0.462419  0.365773  1
  Ti  Ti19  1  0.550781  0.781363  0.462445  1
  Ti  Ti20  1  0.550781  0.520061  0.412511  1
  Ti  Ti21  1  0.550781  0.150757  0.437500  1
  Ti  Ti22  1  1.050781  0.946400  0.434438  1
  Ti  Ti23  1  1.050781  0.723662  0.415757  1
  Ti  Ti24  1  1.050781  0.355079  0.440559  1
  Ti  Ti25  1  0.550781  0.635435  0.505901  1
  Ti  Ti26  1  0.550781  0.412697  0.487220  1
  Ti  Ti27  1  0.550781  0.004018  0.481099  1
  Ti  Ti28  1  1.050781  0.839036  0.509147  1
  Ti  Ti29  1  1.050781  0.577734  0.459213  1
  Ti  Ti30  1  1.050781  0.208340  0.484158  1
  Ti  Ti31  1  0.550781  0.527925  0.580481  1
  Ti  Ti32  1  0.550781  0.265910  0.530806  1
  Ti  Ti33  1  0.550781  0.896678  0.555885  1
  Ti  Ti34  1  1.050781  0.693126  0.552601  1
  Ti  Ti35  1  1.050781  0.470358  0.533860  1
  Ti  Ti36  1  1.050781  0.061578  0.527771  1
  Ti  Ti37  1  0.550781  0.380979  0.624091  1
  Ti  Ti38  1  0.550781  0.119030  0.574440  1
  Ti  Ti39  1  0.550781  0.750882  0.599354  1
  Ti  Ti40  1  1.050781  0.585430  0.627029  1
  Ti  Ti41  1  1.050781  0.323527  0.577417  1
  Ti  Ti42  1  1.050781  0.954486  0.602709  1
  Ti  Ti43  1  0.550781  0.233705  0.666784  1
  Ti  Ti44  1  0.550781  0.012125  0.649016  1
  Ti  Ti45  1  0.550781  0.642210  0.672507  1
  Ti  Ti46  1  1.050781  0.438539  0.669868  1
  Ti  Ti47  1  1.050781  0.176769  0.620951  1
  Ti  Ti48  1  1.050781  0.808316  0.645598  1
