[CIF]
data_ScFeSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59451648
_cell_length_b   4.59451648
_cell_length_c   3.34264393
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeSe2
_chemical_formula_sum   'Sc1 Fe1 Se2'
_cell_volume   70.56181511
_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
  Fe  Fe0  1  2.29725824  2.29725824  0.00000000  1
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1
  Se  Se2  1  0.00000000  2.29725824  1.67132196  1
  Se  Se3  1  2.29725824  0.00000000  1.67132196  1
[/CIF]
