The crystal structure described by MgFe4(SbS)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent Fe(1), two equivalent Sb(1), two equivalent Sb(2), and two equivalent S(2) atoms to form distorted MgFe2Sb4S2 hexagonal bipyramids that share corners with four equivalent S(1)Fe3Sb tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(1), two equivalent Sb(2), one S(1), and two equivalent S(2) atoms. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to 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 5-coordinate geometry to one Mg(1), one Fe(1), two equivalent Fe(2), and one S(1) atom. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(2), two equivalent Fe(1), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Fe(1), two equivalent Fe(2), and one Sb(1) atom to form distorted SFe3Sb tetrahedra that share corners with two equivalent Mg(1)Fe2Sb4S2 hexagonal bipyramids and  an edgeedge with one S(1)Fe3Sb tetrahedra. In the second S site, S(2) is bonded in a 4-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   6.057
_cell_length_b   6.259
_cell_length_c   6.337
_cell_angle_alpha   110.507
_cell_angle_beta   90.064
_cell_angle_gamma   91.300
_symmetry_Int_Tables_number   1
_cell_volume   224.983
_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  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.985  0.705  0.704  1.0
  Fe  Fe2  1  0.519  0.693  0.194  1.0
  Fe  Fe3  1  0.015  0.295  0.296  1.0
  Fe  Fe4  1  0.481  0.307  0.806  1.0
  Sb  Sb5  1  0.395  0.844  0.628  1.0
  Sb  Sb6  1  0.605  0.156  0.372  1.0
  Sb  Sb7  1  0.163  0.845  0.086  1.0
  Sb  Sb8  1  0.837  0.155  0.914  1.0
  S  S9  1  0.351  0.366  0.161  1.0
  S  S10  1  0.649  0.634  0.839  1.0
  S  S11  1  0.855  0.619  0.326  1.0
  S  S12  1  0.145  0.381  0.674  1.0
[/CIF]
.
The crystal structure described by MgFe4(SbS)4 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent Fe(1), two equivalent Sb(1), two equivalent Sb(2), and two equivalent S(2) atoms to form distorted MgFe2Sb4S2 hexagonal bipyramids that share corners with four equivalent S(1)Fe3Sb tetrahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 7-coordinate geometry to one Mg(1), one Sb(1), two equivalent Sb(2), one S(1), and two equivalent S(2) atoms. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to 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 5-coordinate geometry to one Mg(1), one Fe(1), two equivalent Fe(2), and one S(1) atom. In the second Sb site, Sb(2) is bonded in a 5-coordinate geometry to one Mg(1), one Fe(2), two equivalent Fe(1), and one S(2) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Fe(1), two equivalent Fe(2), and one Sb(1) atom to form distorted SFe3Sb tetrahedra that share corners with two equivalent Mg(1)Fe2Sb4S2 hexagonal bipyramids and  an edgeedge with one S(1)Fe3Sb tetrahedra. In the second S site, S(2) is bonded in a 4-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   6.057
_cell_length_b   6.259
_cell_length_c   6.337
_cell_angle_alpha   110.507
_cell_angle_beta   90.064
_cell_angle_gamma   91.300
_symmetry_Int_Tables_number   1
_cell_volume   224.983
_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  0.000  0.000  0.500  1.0
  Fe  Fe1  1  0.985  0.705  0.704  1.0
  Fe  Fe2  1  0.519  0.693  0.194  1.0
  Fe  Fe3  1  0.015  0.295  0.296  1.0
  Fe  Fe4  1  0.481  0.307  0.806  1.0
  Sb  Sb5  1  0.395  0.844  0.628  1.0
  Sb  Sb6  1  0.605  0.156  0.372  1.0
  Sb  Sb7  1  0.163  0.845  0.086  1.0
  Sb  Sb8  1  0.837  0.155  0.914  1.0
  S  S9  1  0.351  0.366  0.161  1.0
  S  S10  1  0.649  0.634  0.839  1.0
  S  S11  1  0.855  0.619  0.326  1.0
  S  S12  1  0.145  0.381  0.674  1.0
[/CIF]
.