The compound described by MgFe4(SbS)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2), two equivalent Sb(1), two equivalent S(1), and two equivalent S(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Sb(1), two equivalent Sb(2), one S(1), and two equivalent S(2) atoms to form distorted FeSb3S3 octahedra that share corners with two equivalent Sb(2)Fe3S tetrahedra and edges with two equivalent Fe(1)Sb3S3 octahedra. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(2), two equivalent Sb(1), one S(2), and two equivalent S(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the second Sb site, Sb(2) is bonded to one Fe(2), two equivalent Fe(1), and one S(2) atom to form distorted SbFe3S tetrahedra that share corners with two equivalent Fe(1)Sb3S3 octahedra and  an edgeedge with one Sb(2)Fe3S tetrahedra. The corner-sharing octahedral tilt angles are 71°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(2), two equivalent Fe(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4(SbS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   6.449
_cell_length_c   6.268
_cell_angle_alpha   110.469
_cell_angle_beta   89.053
_cell_angle_gamma   91.703
_symmetry_Int_Tables_number   1
_cell_volume   226.548
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.986  0.713  0.720  1.0
  Fe  Fe2  1  0.512  0.704  0.213  1.0
  Fe  Fe3  1  0.014  0.287  0.280  1.0
  Fe  Fe4  1  0.488  0.296  0.787  1.0
  Sb  Sb5  1  0.331  0.907  0.636  1.0
  Sb  Sb6  1  0.669  0.093  0.364  1.0
  Sb  Sb7  1  0.142  0.856  0.132  1.0
  Sb  Sb8  1  0.858  0.144  0.868  1.0
  S  S9  1  0.343  0.356  0.133  1.0
  S  S10  1  0.657  0.644  0.867  1.0
  S  S11  1  0.870  0.626  0.340  1.0
  S  S12  1  0.130  0.374  0.660  1.0
[/CIF]
.
The compound described by MgFe4(SbS)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent Fe(2), two equivalent Sb(1), two equivalent S(1), and two equivalent S(2) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one Sb(1), two equivalent Sb(2), one S(1), and two equivalent S(2) atoms to form distorted FeSb3S3 octahedra that share corners with two equivalent Sb(2)Fe3S tetrahedra and edges with two equivalent Fe(1)Sb3S3 octahedra. In the second Fe site, Fe(2) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(2), two equivalent Sb(1), one S(2), and two equivalent S(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the second Sb site, Sb(2) is bonded to one Fe(2), two equivalent Fe(1), and one S(2) atom to form distorted SbFe3S tetrahedra that share corners with two equivalent Fe(1)Sb3S3 octahedra and  an edgeedge with one Sb(2)Fe3S tetrahedra. The corner-sharing octahedral tilt angles are 71°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Fe(1), and two equivalent Fe(2) atoms. In the second S site, S(2) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(2), two equivalent Fe(1), and one Sb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgFe4(SbS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.985
_cell_length_b   6.449
_cell_length_c   6.268
_cell_angle_alpha   110.469
_cell_angle_beta   89.053
_cell_angle_gamma   91.703
_symmetry_Int_Tables_number   1
_cell_volume   226.548
_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
  Mg  Mg0  1  0.500  0.500  0.500  1.0
  Fe  Fe1  1  0.986  0.713  0.720  1.0
  Fe  Fe2  1  0.512  0.704  0.213  1.0
  Fe  Fe3  1  0.014  0.287  0.280  1.0
  Fe  Fe4  1  0.488  0.296  0.787  1.0
  Sb  Sb5  1  0.331  0.907  0.636  1.0
  Sb  Sb6  1  0.669  0.093  0.364  1.0
  Sb  Sb7  1  0.142  0.856  0.132  1.0
  Sb  Sb8  1  0.858  0.144  0.868  1.0
  S  S9  1  0.343  0.356  0.133  1.0
  S  S10  1  0.657  0.644  0.867  1.0
  S  S11  1  0.870  0.626  0.340  1.0
  S  S12  1  0.130  0.374  0.660  1.0
[/CIF]
.