# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92167895
_cell_length_b   6.94674612
_cell_length_c   48.29345070
_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   Ti24
_cell_volume   980.171694343
_cell_formula_units_Z   24
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  1.005018  0.582253  0.350963  1
  Ti  Ti2  1  0.505018  0.853923  0.316461  1
  Ti  Ti3  1  0.505018  0.260882  0.327276  1
  Ti  Ti4  1  1.005018  0.539549  0.294547  1
  Ti  Ti5  1  1.005018  0.037532  0.422814  1
  Ti  Ti6  1  0.505018  0.309453  0.386525  1
  Ti  Ti7  1  0.505018  0.716381  0.399205  1
  Ti  Ti8  1  1.005018  0.988706  0.363534  1
  Ti  Ti9  1  1.005018  0.492416  0.494502  1
  Ti  Ti10  1  0.505018  0.764707  0.458669  1
  Ti  Ti11  1  0.505018  0.171773  0.470932  1
  Ti  Ti12  1  1.005018  0.443705  0.434910  1
  Ti  Ti13  1  0.005018  0.948210  0.566430  1
  Ti  Ti14  1  0.505018  0.220142  0.530408  1
  Ti  Ti15  1  0.505018  0.627207  0.542671  1
  Ti  Ti16  1  1.005018  0.899498  0.506838  1
  Ti  Ti17  1  1.005018  0.403209  0.637807  1
  Ti  Ti18  1  0.505018  0.675534  0.602135  1
  Ti  Ti19  1  0.505018  0.082462  0.614815  1
  Ti  Ti20  1  0.005018  0.354383  0.578526  1
  Ti  Ti21  1  1.005018  0.852366  0.706793  1
  Ti  Ti22  1  0.505018  0.131033  0.674064  1
  Ti  Ti23  1  0.505018  0.537991  0.684880  1
  Ti  Ti24  1  1.005018  0.809661  0.650377  1
