# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87836856
_cell_length_b   16.63776479
_cell_length_c   47.07550088
_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   Ti54
_cell_volume   2254.427808
_cell_formula_units_Z   54
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  0.001312  0.760845  0.338052  1
  Ti  Ti2  1  0.001312  0.501655  0.314996  1
  Ti  Ti3  1  1.001312  0.220367  0.292139  1
  Ti  Ti4  1  0.501312  0.610321  0.352919  1
  Ti  Ti5  1  0.501312  0.344595  0.323968  1
  Ti  Ti6  1  0.501312  0.069133  0.302984  1
  Ti  Ti7  1  0.501312  0.653840  0.297156  1
  Ti  Ti8  1  0.501312  0.186806  0.343843  1
  Ti  Ti9  1  0.501312  0.907534  0.317850  1
  Ti  Ti10  1  1.001312  0.570240  0.407650  1
  Ti  Ti11  1  1.001312  0.301658  0.382217  1
  Ti  Ti12  1  1.001312  0.030511  0.357945  1
  Ti  Ti13  1  0.501312  0.416125  0.422940  1
  Ti  Ti14  1  0.501312  0.146900  0.398763  1
  Ti  Ti15  1  0.501312  0.879787  0.374712  1
  Ti  Ti16  1  0.501312  0.453503  0.367497  1
  Ti  Ti17  1  0.501312  0.993491  0.414896  1
  Ti  Ti18  1  0.501312  0.725869  0.392462  1
  Ti  Ti19  1  1.001312  0.377188  0.478601  1
  Ti  Ti20  1  1.001312  0.108976  0.454774  1
  Ti  Ti21  1  1.001312  0.840884  0.431186  1
  Ti  Ti22  1  0.501312  0.224063  0.494431  1
  Ti  Ti23  1  0.501312  0.956459  0.470712  1
  Ti  Ti24  1  0.501312  0.686032  0.447411  1
  Ti  Ti25  1  0.501312  0.261961  0.438634  1
  Ti  Ti26  1  0.501312  0.802239  0.486769  1
  Ti  Ti27  1  0.501312  0.531184  0.462896  1
  Ti  Ti28  1  1.001312  0.185598  0.550856  1
  Ti  Ti29  1  1.001312  0.917724  0.526619  1
  Ti  Ti30  1  1.001312  0.647397  0.502443  1
  Ti  Ti31  1  0.501312  0.033472  0.566995  1
  Ti  Ti32  1  0.501312  0.763736  0.542065  1
  Ti  Ti33  1  0.501312  0.492381  0.518204  1
  Ti  Ti34  1  0.501312  0.070511  0.511086  1
  Ti  Ti35  1  0.501312  0.608766  0.557393  1
  Ti  Ti36  1  0.501312  0.338281  0.534587  1
  Ti  Ti37  1  1.001312  0.993239  0.623291  1
  Ti  Ti38  1  1.001312  0.724497  0.597138  1
  Ti  Ti39  1  1.001312  0.453665  0.573815  1
  Ti  Ti40  1  0.501312  0.840767  0.637250  1
  Ti  Ti41  1  0.501312  0.568935  0.612260  1
  Ti  Ti42  1  0.501312  0.300514  0.590357  1
  Ti  Ti43  1  0.501312  0.878954  0.582052  1
  Ti  Ti44  1  0.501312  0.415208  0.630217  1
  Ti  Ti45  1  0.501312  0.147325  0.607581  1
  Ti  Ti46  1  0.001312  0.792308  0.689671  1
  Ti  Ti47  1  1.001312  0.534854  0.666582  1
  Ti  Ti48  1  1.001312  0.264997  0.647078  1
  Ti  Ti49  1  0.501312  0.640623  0.707674  1
  Ti  Ti50  1  0.501312  0.390434  0.687268  1
  Ti  Ti51  1  0.501312  0.107635  0.662912  1
  Ti  Ti52  1  0.501312  0.684319  0.651817  1
  Ti  Ti53  1  0.501312  0.230598  0.701083  1
  Ti  Ti54  1  0.501312  0.948959  0.680244  1
