# generated using pymatgen
data_Ti9NbSn6Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14838537
_cell_length_b   8.14838490
_cell_length_c   5.52104838
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999391
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti9NbSn6Se
_chemical_formula_sum   'Ti9 Nb1 Sn6 Se1'
_cell_volume   317.46460184
_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  0.33333300  0.66666700  0.50000000  1.0
  Ti  Ti1  1  0.33333300  0.66666700  0.00000000  1.0
  Ti  Ti2  1  0.66666700  0.33333300  0.00000000  1.0
  Ti  Ti3  1  0.74420400  0.74273789  0.23741369  1.0
  Ti  Ti4  1  0.25726211  0.00146611  0.23741369  1.0
  Ti  Ti5  1  0.99853389  0.25579600  0.23741369  1.0
  Ti  Ti6  1  0.25726211  0.25579600  0.76258631  1.0
  Ti  Ti7  1  0.74420400  0.00146611  0.76258631  1.0
  Ti  Ti8  1  0.99853389  0.74273789  0.76258631  1.0
  Nb  Nb9  1  0.66666700  0.33333300  0.50000000  1.0
  Sn  Sn10  1  0.39087646  0.39350722  0.24778098  1.0
  Sn  Sn11  1  0.60649278  0.99736924  0.24778098  1.0
  Sn  Sn12  1  0.00263076  0.60912354  0.24778098  1.0
  Sn  Sn13  1  0.60649278  0.60912354  0.75221902  1.0
  Sn  Sn14  1  0.39087646  0.99736924  0.75221902  1.0
  Sn  Sn15  1  0.00263076  0.39350722  0.75221902  1.0
  Se  Se16  1  0.00000000  0.00000000  0.50000000  1.0