# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92751805
_cell_length_b   14.91873613
_cell_length_c   48.08852491
_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   2100.26003857
_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  0.254011  0.384757  0.315919  1
  Ti  Ti2  1  0.754011  0.735750  0.299491  1
  Ti  Ti3  1  0.254011  0.083204  0.284363  1
  Ti  Ti4  1  0.254011  0.568109  0.300811  1
  Ti  Ti5  1  0.754011  0.918975  0.284185  1
  Ti  Ti6  1  0.754011  0.214983  0.315937  1
  Ti  Ti7  1  0.754011  0.324239  0.364739  1
  Ti  Ti8  1  0.254011  0.676681  0.348374  1
  Ti  Ti9  1  0.754011  0.029224  0.332037  1
  Ti  Ti10  1  0.754011  0.510049  0.349456  1
  Ti  Ti11  1  0.254011  0.862338  0.332835  1
  Ti  Ti12  1  0.254011  0.157019  0.365482  1
  Ti  Ti13  1  0.254011  0.265546  0.415280  1
  Ti  Ti14  1  0.754011  0.618316  0.398933  1
  Ti  Ti15  1  0.254011  0.971158  0.382308  1
  Ti  Ti16  1  0.254011  0.450730  0.399236  1
  Ti  Ti17  1  0.754011  0.803561  0.382696  1
  Ti  Ti18  1  0.754011  0.098530  0.415884  1
  Ti  Ti19  1  0.754011  0.207024  0.465646  1
  Ti  Ti20  1  0.254011  0.559528  0.449086  1
  Ti  Ti21  1  0.754011  0.912499  0.432422  1
  Ti  Ti22  1  0.754011  0.392428  0.449414  1
  Ti  Ti23  1  0.254011  0.745346  0.432877  1
  Ti  Ti24  1  0.254011  0.039855  0.466110  1
  Ti  Ti25  1  0.254011  0.148472  0.515891  1
  Ti  Ti26  1  0.754011  0.501095  0.499290  1
  Ti  Ti27  1  0.254011  0.853927  0.482611  1
  Ti  Ti28  1  0.254011  0.334082  0.499628  1
  Ti  Ti29  1  0.754011  0.686704  0.483027  1
  Ti  Ti30  1  0.754011  0.981249  0.516307  1
  Ti  Ti31  1  0.754011  0.089830  0.566041  1
  Ti  Ti32  1  0.254011  0.442748  0.549504  1
  Ti  Ti33  1  0.754011  0.795321  0.532808  1
  Ti  Ti34  1  0.754011  0.275648  0.549833  1
  Ti  Ti35  1  0.254011  0.628152  0.533272  1
  Ti  Ti36  1  0.254011  0.922677  0.566496  1
  Ti  Ti37  1  0.254011  0.031615  0.616222  1
  Ti  Ti38  1  0.754011  0.384446  0.599682  1
  Ti  Ti39  1  0.254011  0.736646  0.583034  1
  Ti  Ti40  1  0.254011  0.216860  0.599985  1
  Ti  Ti41  1  0.754011  0.569630  0.583638  1
  Ti  Ti42  1  0.754011  0.864018  0.616610  1
  Ti  Ti43  1  0.754011  0.972838  0.666083  1
  Ti  Ti44  1  0.254011  0.325127  0.649462  1
  Ti  Ti45  1  0.754011  0.678157  0.633436  1
  Ti  Ti46  1  0.754011  0.158495  0.650544  1
  Ti  Ti47  1  0.254011  0.510937  0.634179  1
  Ti  Ti48  1  0.254011  0.805952  0.666882  1
  Ti  Ti49  1  0.254011  0.916201  0.714734  1
  Ti  Ti50  1  0.754011  0.267067  0.698107  1
  Ti  Ti51  1  0.254011  0.620193  0.682981  1
  Ti  Ti52  1  0.254011  0.099426  0.699427  1
  Ti  Ti53  1  0.754011  0.450419  0.683000  1
  Ti  Ti54  1  0.754011  0.751972  0.714555  1
