data_FeSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.48
_cell_length_c   6.48
_cell_angle_alpha   152.31
_cell_angle_beta   140.01
_cell_angle_gamma   49.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSbSe2
_chemical_formula_sum   'Fe1 Sb1 Se2'
_cell_volume   80.87
_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  0.0  0.0  0.66  1.0
  Sb  Sb1  1  0.0  0.22  0.05  1.0
  Se  Se2  1  0.0  0.0  0.17  1.0
  Se  Se3  1  0.55  0.0  0.89  1.0

data_FeSbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   4.43
_cell_length_c   6.48
_cell_angle_alpha   109.99
_cell_angle_beta   103.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSbSe2
_chemical_formula_sum   'Fe1 Sb1 Se2'
_cell_volume   80.87
_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  0.0  0.66  0.66  1.0
  Sb  Sb1  1  0.78  0.83  0.83  1.0
  Se  Se2  1  0.0  0.17  0.17  1.0
  Se  Se3  1  0.0  0.89  0.34  1.0

Fe Sb Se Se
Fe Sb Se Se 0 1 o o + 1 2 o o o 2 3 - o - 