# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13854879
_cell_length_b   4.13854879
_cell_length_c   46.23683066
_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   Ti20
_cell_volume   791.92529877
_cell_formula_units_Z   20
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  0.504119  0.004119  0.337019  1
  Ti  Ti2  1  1.004119  0.504119  0.337019  1
  Ti  Ti3  1  0.504119  0.504119  0.292177  1
  Ti  Ti4  1  1.004119  0.004119  0.292177  1
  Ti  Ti5  1  0.504119  0.004119  0.428018  1
  Ti  Ti6  1  1.004119  0.504119  0.428018  1
  Ti  Ti7  1  0.504119  0.504119  0.382458  1
  Ti  Ti8  1  1.004119  0.004119  0.382458  1
  Ti  Ti9  1  0.504119  0.004119  0.519123  1
  Ti  Ti10  1  1.004119  0.504119  0.519123  1
  Ti  Ti11  1  0.504119  0.504119  0.473571  1
  Ti  Ti12  1  1.004119  0.004119  0.473571  1
  Ti  Ti13  1  0.504119  0.004119  0.610236  1
  Ti  Ti14  1  1.004119  0.504119  0.610236  1
  Ti  Ti15  1  0.504119  0.504119  0.564676  1
  Ti  Ti16  1  1.004119  0.004119  0.564676  1
  Ti  Ti17  1  0.504119  0.004119  0.700517  1
  Ti  Ti18  1  1.004119  0.504119  0.700517  1
  Ti  Ti19  1  0.504119  0.504119  0.655675  1
  Ti  Ti20  1  1.004119  0.004119  0.655675  1
