# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98289590
_cell_length_b   10.75299930
_cell_length_c   52.93247136
_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   1697.81312478
_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  0.546860  0.014994  0.265437  1
  Ti  Ti2  1  0.546860  0.625997  0.307210  1
  Ti  Ti3  1  0.546860  0.285489  0.272665  1
  Ti  Ti4  1  1.046860  0.126271  0.306204  1
  Ti  Ti5  1  1.046860  0.785158  0.273532  1
  Ti  Ti6  1  1.046860  0.517397  0.265474  1
  Ti  Ti7  1  0.546860  0.899881  0.315490  1
  Ti  Ti8  1  0.546860  0.504298  0.359800  1
  Ti  Ti9  1  0.546860  0.237813  0.346093  1
  Ti  Ti10  1  1.046860  0.019796  0.357708  1
  Ti  Ti11  1  1.046860  0.731773  0.347514  1
  Ti  Ti12  1  1.046860  0.401416  0.314522  1
  Ti  Ti13  1  0.546860  0.845996  0.385983  1
  Ti  Ti14  1  0.546860  0.444993  0.423707  1
  Ti  Ti15  1  0.546860  0.093370  0.405783  1
  Ti  Ti16  1  1.046860  0.884071  0.430435  1
  Ti  Ti17  1  1.046860  0.635447  0.400796  1
  Ti  Ti18  1  1.046860  0.309566  0.388444  1
  Ti  Ti19  1  0.546860  0.681506  0.449686  1
  Ti  Ti20  1  0.546860  0.286456  0.492720  1
  Ti  Ti21  1  0.546860  0.035923  0.463185  1
  Ti  Ti22  1  1.046860  0.826198  0.488132  1
  Ti  Ti23  1  1.046860  0.475186  0.469117  1
  Ti  Ti24  1  1.046860  0.238972  0.443814  1
  Ti  Ti25  1  0.546860  0.607876  0.504784  1
  Ti  Ti26  1  0.546860  0.190345  0.545910  1
  Ti  Ti27  1  0.546860  0.903201  0.536049  1
  Ti  Ti28  1  1.046860  0.684398  0.546834  1
  Ti  Ti29  1  1.046860  0.416618  0.533868  1
  Ti  Ti30  1  1.046860  0.075520  0.507468  1
  Ti  Ti31  1  0.546860  0.520640  0.578675  1
  Ti  Ti32  1  0.546860  0.137030  0.621224  1
  Ti  Ti33  1  0.546860  0.794820  0.587355  1
  Ti  Ti34  1  1.046860  0.636210  0.621431  1
  Ti  Ti35  1  1.046860  0.295213  0.586661  1
  Ti  Ti36  1  1.046860  0.022888  0.578157  1
  Ti  Ti37  1  0.546860  0.406465  0.628650  1
  Ti  Ti38  1  0.546860  0.019472  0.670189  1
  Ti  Ti39  1  0.546860  0.751386  0.663336  1
  Ti  Ti40  1  1.046860  0.519307  0.670301  1
  Ti  Ti41  1  1.046860  0.251116  0.663433  1
  Ti  Ti42  1  1.046860  0.907624  0.628615  1
