# generated using pymatgen
data_TiNb8SnSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01289601
_cell_length_b   7.01289569
_cell_length_c   13.89706599
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001565
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb8SnSe16
_chemical_formula_sum   'Ti1 Nb8 Sn1 Se16'
_cell_volume   591.90016527
_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  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.22919903  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.77080097  1.0
  Nb  Nb3  1  0.50743521  0.49256479  0.22922972  1.0
  Nb  Nb4  1  0.50743521  0.01487041  0.22922972  1.0
  Nb  Nb5  1  0.98512959  0.49256479  0.22922972  1.0
  Nb  Nb6  1  0.49256479  0.50743521  0.77077028  1.0
  Nb  Nb7  1  0.49256479  0.98512959  0.77077028  1.0
  Nb  Nb8  1  0.01487041  0.50743521  0.77077028  1.0
  Sn  Sn9  1  0.00000000  0.00000000  0.50000000  1.0
  Se  Se10  1  0.33333300  0.66666700  0.89324016  1.0
  Se  Se11  1  0.66666700  0.33333300  0.10675984  1.0
  Se  Se12  1  0.66666700  0.33333300  0.35299913  1.0
  Se  Se13  1  0.33333300  0.66666700  0.64700087  1.0
  Se  Se14  1  0.16854732  0.83145268  0.34797965  1.0
  Se  Se15  1  0.16854732  0.33709464  0.34797965  1.0
  Se  Se16  1  0.66290536  0.83145268  0.34797965  1.0
  Se  Se17  1  0.83145268  0.16854732  0.65202035  1.0
  Se  Se18  1  0.83145268  0.66290536  0.65202035  1.0
  Se  Se19  1  0.33709464  0.16854732  0.65202035  1.0
  Se  Se20  1  0.83203899  0.16796101  0.88956402  1.0
  Se  Se21  1  0.83203899  0.66407798  0.88956402  1.0
  Se  Se22  1  0.33592202  0.16796101  0.88956402  1.0
  Se  Se23  1  0.16796101  0.83203899  0.11043598  1.0
  Se  Se24  1  0.16796101  0.33592202  0.11043598  1.0
  Se  Se25  1  0.66407798  0.83203899  0.11043598  1.0