# generated using pymatgen
data_SmNb8FeSe16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.02162235
_cell_length_b   7.02162266
_cell_length_c   13.65272788
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999853
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmNb8FeSe16
_chemical_formula_sum   'Sm1 Nb8 Fe1 Se16'
_cell_volume   582.94157104
_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
  Sm  Sm0  1  0.00000000  0.00000000  0.50000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.23163946  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.76836054  1.0
  Nb  Nb3  1  0.50879161  0.01758421  0.23105477  1.0
  Nb  Nb4  1  0.98241579  0.49120839  0.23105477  1.0
  Nb  Nb5  1  0.50879161  0.49120839  0.23105477  1.0
  Nb  Nb6  1  0.49120839  0.98241579  0.76894523  1.0
  Nb  Nb7  1  0.01758421  0.50879161  0.76894523  1.0
  Nb  Nb8  1  0.49120839  0.50879161  0.76894523  1.0
  Fe  Fe9  1  0.00000000  0.00000000  0.00000000  1.0
  Se  Se10  1  0.33333300  0.66666700  0.89421348  1.0
  Se  Se11  1  0.66666700  0.33333300  0.10578652  1.0
  Se  Se12  1  0.66666700  0.33333300  0.35864412  1.0
  Se  Se13  1  0.33333300  0.66666700  0.64135588  1.0
  Se  Se14  1  0.16967602  0.83032398  0.35215517  1.0
  Se  Se15  1  0.16967602  0.33935203  0.35215517  1.0
  Se  Se16  1  0.66064797  0.83032398  0.35215517  1.0
  Se  Se17  1  0.83032398  0.16967602  0.64784483  1.0
  Se  Se18  1  0.83032398  0.66064797  0.64784483  1.0
  Se  Se19  1  0.33935203  0.16967602  0.64784483  1.0
  Se  Se20  1  0.83126983  0.16873017  0.88856424  1.0
  Se  Se21  1  0.83126983  0.66254166  0.88856424  1.0
  Se  Se22  1  0.33745834  0.16873017  0.88856424  1.0
  Se  Se23  1  0.16873017  0.83126983  0.11143576  1.0
  Se  Se24  1  0.16873017  0.33745834  0.11143576  1.0
  Se  Se25  1  0.66254166  0.83126983  0.11143576  1.0