# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.67522593
_cell_length_b   5.11380239
_cell_length_c   47.67033228
_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   2114.81759301
_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  0.962068  0.497224  0.311642  1
  Ti  Ti2  1  0.462068  0.997224  0.311642  1
  Ti  Ti3  1  0.128734  0.997224  0.311642  1
  Ti  Ti4  1  0.628734  0.497224  0.311642  1
  Ti  Ti5  1  0.295401  0.497224  0.311642  1
  Ti  Ti6  1  0.795401  0.997224  0.311642  1
  Ti  Ti7  1  -0.037932  0.824075  0.360236  1
  Ti  Ti8  1  0.462068  0.324075  0.360236  1
  Ti  Ti9  1  0.128734  0.324075  0.360236  1
  Ti  Ti10  1  0.628734  0.824075  0.360236  1
  Ti  Ti11  1  0.295401  0.824075  0.360236  1
  Ti  Ti12  1  0.795401  0.324075  0.360236  1
  Ti  Ti13  1  -0.037932  0.150774  0.410574  1
  Ti  Ti14  1  0.462068  0.650774  0.410574  1
  Ti  Ti15  1  0.128734  0.650774  0.410574  1
  Ti  Ti16  1  0.628734  0.150774  0.410574  1
  Ti  Ti17  1  0.295401  0.150774  0.410574  1
  Ti  Ti18  1  0.795401  0.650774  0.410574  1
  Ti  Ti19  1  -0.037932  0.477604  0.460901  1
  Ti  Ti20  1  0.462068  0.977604  0.460901  1
  Ti  Ti21  1  0.128734  0.977604  0.460901  1
  Ti  Ti22  1  0.628734  0.477604  0.460901  1
  Ti  Ti23  1  0.295401  0.477604  0.460901  1
  Ti  Ti24  1  0.795401  0.977604  0.460901  1
  Ti  Ti25  1  -0.037932  0.804435  0.511226  1
  Ti  Ti26  1  0.462068  0.304435  0.511226  1
  Ti  Ti27  1  0.128734  0.304435  0.511226  1
  Ti  Ti28  1  0.628734  0.804435  0.511226  1
  Ti  Ti29  1  0.295401  0.804435  0.511226  1
  Ti  Ti30  1  0.795401  0.304435  0.511226  1
  Ti  Ti31  1  0.962068  0.131265  0.561551  1
  Ti  Ti32  1  0.462068  0.631265  0.561551  1
  Ti  Ti33  1  0.128734  0.631265  0.561551  1
  Ti  Ti34  1  0.628734  0.131265  0.561551  1
  Ti  Ti35  1  0.295401  0.131265  0.561551  1
  Ti  Ti36  1  0.795401  0.631265  0.561551  1
  Ti  Ti37  1  0.962068  0.458095  0.611878  1
  Ti  Ti38  1  0.462068  0.958095  0.611878  1
  Ti  Ti39  1  0.128734  0.958095  0.611878  1
  Ti  Ti40  1  0.628734  0.458095  0.611878  1
  Ti  Ti41  1  0.295401  0.458095  0.611878  1
  Ti  Ti42  1  0.795401  0.958095  0.611878  1
  Ti  Ti43  1  0.962068  0.784794  0.662215  1
  Ti  Ti44  1  0.462068  0.284794  0.662215  1
  Ti  Ti45  1  0.128734  0.284794  0.662215  1
  Ti  Ti46  1  0.628734  0.784794  0.662215  1
  Ti  Ti47  1  0.295401  0.784794  0.662215  1
  Ti  Ti48  1  0.795401  0.284794  0.662215  1
  Ti  Ti49  1  -0.037932  0.111645  0.710810  1
  Ti  Ti50  1  0.462068  0.611645  0.710810  1
  Ti  Ti51  1  0.128734  0.611645  0.710810  1
  Ti  Ti52  1  0.628734  0.111645  0.710810  1
  Ti  Ti53  1  0.295401  0.111645  0.710810  1
  Ti  Ti54  1  0.795401  0.611645  0.710810  1
