# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74491825
_cell_length_b   7.70504342
_cell_length_c   46.41188378
_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   1696.80923939
_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  0.752872  0.116481  0.294171  1
  Ti  Ti2  1  0.752872  0.755559  0.312904  1
  Ti  Ti3  1  0.752872  0.402277  0.334153  1
  Ti  Ti4  1  0.252872  0.184185  0.327596  1
  Ti  Ti5  1  0.252872  0.903771  0.288110  1
  Ti  Ti6  1  0.252872  0.537216  0.305956  1
  Ti  Ti7  1  0.752872  0.040977  0.354950  1
  Ti  Ti8  1  0.752872  0.685209  0.375827  1
  Ti  Ti9  1  0.752872  0.327446  0.396629  1
  Ti  Ti10  1  0.252872  0.109960  0.389572  1
  Ti  Ti11  1  0.252872  0.823518  0.347959  1
  Ti  Ti12  1  0.252872  0.468228  0.368667  1
  Ti  Ti13  1  0.752872  0.970398  0.417694  1
  Ti  Ti14  1  0.752872  0.613061  0.438585  1
  Ti  Ti15  1  0.752872  0.256198  0.459503  1
  Ti  Ti16  1  0.252872  0.038791  0.452268  1
  Ti  Ti17  1  0.252872  0.752962  0.410490  1
  Ti  Ti18  1  0.252872  0.395694  0.431302  1
  Ti  Ti19  1  0.752872  0.899081  0.480448  1
  Ti  Ti20  1  0.752872  0.542082  0.501384  1
  Ti  Ti21  1  0.752872  0.185208  0.522284  1
  Ti  Ti22  1  0.252872  0.967780  0.515003  1
  Ti  Ti23  1  0.252872  0.681653  0.473167  1
  Ti  Ti24  1  0.252872  0.324779  0.494067  1
  Ti  Ti25  1  0.752872  0.828070  0.543183  1
  Ti  Ti26  1  0.752872  0.471167  0.564149  1
  Ti  Ti27  1  0.752872  0.113899  0.584961  1
  Ti  Ti28  1  0.252872  0.896463  0.577757  1
  Ti  Ti29  1  0.252872  0.610662  0.535948  1
  Ti  Ti30  1  0.252872  0.253800  0.556866  1
  Ti  Ti31  1  0.752872  0.756901  0.605879  1
  Ti  Ti32  1  0.752872  0.398633  0.626783  1
  Ti  Ti33  1  0.752872  0.043343  0.647492  1
  Ti  Ti34  1  0.252872  0.825884  0.640501  1
  Ti  Ti35  1  0.252872  0.539415  0.598822  1
  Ti  Ti36  1  0.252872  0.181652  0.619624  1
  Ti  Ti37  1  0.752872  0.682676  0.667855  1
  Ti  Ti38  1  0.752872  0.329645  0.689495  1
  Ti  Ti39  1  0.752872  0.963090  0.707341  1
  Ti  Ti40  1  0.252872  0.750380  0.701280  1
  Ti  Ti41  1  0.252872  0.464584  0.661298  1
  Ti  Ti42  1  0.252872  0.111302  0.682547  1
