# generated using pymatgen
data_ScNb9Se16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01287829
_cell_length_b   7.01287875
_cell_length_c   13.35625319
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999782
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb9Se16
_chemical_formula_sum   'Sc1 Nb9 Se16'
_cell_volume   568.86329968
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.24787238  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.75212762  1.0
  Nb  Nb3  1  0.50778346  0.01556692  0.24703542  1.0
  Nb  Nb4  1  0.98443308  0.49221654  0.24703542  1.0
  Nb  Nb5  1  0.50778346  0.49221654  0.24703542  1.0
  Nb  Nb6  1  0.49221654  0.98443308  0.75296458  1.0
  Nb  Nb7  1  0.01556692  0.50778346  0.75296458  1.0
  Nb  Nb8  1  0.49221654  0.50778346  0.75296458  1.0
  Nb  Nb9  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se10  1  0.33333300  0.66666700  0.88154690  1.0
  Se  Se11  1  0.66666700  0.33333300  0.11845310  1.0
  Se  Se12  1  0.66666700  0.33333300  0.37562018  1.0
  Se  Se13  1  0.33333300  0.66666700  0.62437982  1.0
  Se  Se14  1  0.16926471  0.83073529  0.37134009  1.0
  Se  Se15  1  0.16926471  0.33852743  0.37134009  1.0
  Se  Se16  1  0.66147257  0.83073529  0.37134009  1.0
  Se  Se17  1  0.83073529  0.16926471  0.62865991  1.0
  Se  Se18  1  0.83073529  0.66147257  0.62865991  1.0
  Se  Se19  1  0.33852743  0.16926471  0.62865991  1.0
  Se  Se20  1  0.83186688  0.16813312  0.87586801  1.0
  Se  Se21  1  0.83186688  0.66373276  0.87586801  1.0
  Se  Se22  1  0.33626724  0.16813312  0.87586801  1.0
  Se  Se23  1  0.16813312  0.83186688  0.12413199  1.0
  Se  Se24  1  0.16813312  0.33626724  0.12413199  1.0
  Se  Se25  1  0.66373276  0.83186688  0.12413199  1.0