# generated using pymatgen
data_Ti19Se20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91900700
_cell_length_b   9.63299679
_cell_length_c   11.32478933
_cell_angle_alpha   91.53457985
_cell_angle_beta   98.80167736
_cell_angle_gamma   111.02438833
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti19Se20
_chemical_formula_sum   'Ti19 Se20'
_cell_volume   693.52517236
_cell_formula_units_Z   1
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  Ti0  1  0.19191100  0.28664700  0.19767100  1.0
  Ti  Ti1  1  0.20107200  0.78765800  0.20841400  1.0
  Ti  Ti2  1  0.40151600  0.10317900  0.39222500  1.0
  Ti  Ti3  1  0.69246500  0.28147100  0.20334600  1.0
  Ti  Ti4  1  0.89844300  0.10427300  0.39176600  1.0
  Ti  Ti5  1  0.69063800  0.78697000  0.20857900  1.0
  Ti  Ti6  1  0.59852300  0.39749000  0.60562200  1.0
  Ti  Ti7  1  0.80808900  0.71335300  0.80232900  1.0
  Ti  Ti8  1  0.10155700  0.89572700  0.60823400  1.0
  Ti  Ti9  1  0.89818500  0.60235000  0.39509100  1.0
  Ti  Ti10  1  0.79892800  0.21234200  0.79158600  1.0
  Ti  Ti11  1  0.00000000  0.50000000  0.00000000  1.0
  Ti  Ti12  1  0.10181500  0.39765000  0.60490900  1.0
  Ti  Ti13  1  0.30753500  0.71852900  0.79665400  1.0
  Ti  Ti14  1  0.59848400  0.89682100  0.60777500  1.0
  Ti  Ti15  1  0.40147700  0.60251000  0.39437800  1.0
  Ti  Ti16  1  0.30936200  0.21303000  0.79142100  1.0
  Ti  Ti17  1  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti18  1  0.50000000  0.00000000  0.00000000  1.0
  Se  Se19  1  0.36656200  0.71575900  0.03522300  1.0
  Se  Se20  1  0.32070600  0.07206200  0.16149200  1.0
  Se  Se21  1  0.56099700  0.50525800  0.23206800  1.0
  Se  Se22  1  0.53557800  0.88527300  0.37088500  1.0
  Se  Se23  1  0.86803100  0.71788600  0.03595100  1.0
  Se  Se24  1  0.76771000  0.31850400  0.43527900  1.0
  Se  Se25  1  0.83199800  0.07140400  0.16119300  1.0
  Se  Se26  1  0.73246500  0.68234600  0.56667800  1.0
  Se  Se27  1  0.96543100  0.11578000  0.62950200  1.0
  Se  Se28  1  0.06044600  0.50627400  0.23258100  1.0
  Se  Se29  1  0.03456900  0.88422000  0.37049800  1.0
  Se  Se30  1  0.26753500  0.31765400  0.43332200  1.0
  Se  Se31  1  0.16800200  0.92859600  0.83880700  1.0
  Se  Se32  1  0.93955400  0.49372600  0.76741900  1.0
  Se  Se33  1  0.23229000  0.68149600  0.56472100  1.0
  Se  Se34  1  0.46442200  0.11472700  0.62911500  1.0
  Se  Se35  1  0.13196900  0.28211400  0.96404900  1.0
  Se  Se36  1  0.43900300  0.49474200  0.76793200  1.0
  Se  Se37  1  0.67929400  0.92793800  0.83850800  1.0
  Se  Se38  1  0.63343800  0.28424100  0.96477700  1.0