data_CoNi(SbS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi(SbS)2
_chemical_formula_sum   'Co2 Ni2 Sb4 S4'
_cell_volume   203.4
_cell_formula_units_Z   2
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
  Co  Co0  1  0.82  0.06  0.35  1.0
  Co  Co1  1  0.04  0.12  0.53  1.0
  Ni  Ni2  1  0.12  0.82  0.29  1.0
  Ni  Ni3  1  0.74  0.76  0.6  1.0
  Sb  Sb4  1  0.79  0.12  0.18  1.0
  Sb  Sb5  1  0.07  0.18  0.7  1.0
  Sb  Sb6  1  0.19  0.79  0.25  1.0
  Sb  Sb7  1  0.67  0.73  0.63  1.0
  S  S8  1  0.13  0.7  0.72  1.0
  S  S9  1  0.73  0.64  0.16  1.0
  S  S10  1  0.62  0.17  0.74  1.0
  S  S11  1  0.24  0.22  0.14  1.0

data_CoNi(SbS)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi(SbS)2
_chemical_formula_sum   'Co2 Ni2 Sb4 S4'
_cell_volume   203.4
_cell_formula_units_Z   2
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
  Co  Co0  1  0.18  0.65  0.94  1.0
  Co  Co1  1  0.96  0.47  0.88  1.0
  Ni  Ni2  1  0.26  0.4  0.24  1.0
  Ni  Ni3  1  0.88  0.71  0.18  1.0
  Sb  Sb4  1  0.21  0.82  0.88  1.0
  Sb  Sb5  1  0.33  0.37  0.27  1.0
  Sb  Sb6  1  0.81  0.75  0.21  1.0
  Sb  Sb7  1  0.93  0.3  0.82  1.0
  S  S8  1  0.27  0.84  0.36  1.0
  S  S9  1  0.38  0.26  0.83  1.0
  S  S10  1  0.76  0.86  0.78  1.0
  S  S11  1  0.87  0.28  0.3  1.0

Co Co Ni Ni Sb Sb Sb Sb S S S S
Co Co Ni Ni Sb Sb Sb Sb S S S S 0 4 o o o 0 9 o - o 0 10 o o o 0 11 + o o 1 5 o o o 1 8 o - o 1 10 - o o 1 11 o o o 2 6 o o o 2 8 o o o 2 9 - o o 2 11 o + o 3 7 o o o 3 8 + o o 3 9 o o o 3 10 o + o 4 9 o o o 4 9 o - o 4 10 o o - 4 11 + o o 5 8 o o o 5 8 o - o 5 10 o o o 5 10 - o o 5 11 o o + 6 8 o o o 6 8 o o - 6 9 - o o 6 11 o + o 7 8 + o o 7 9 o o + 7 9 o o o 7 10 o + o 10 11 o o + 
CoNi(SbS)2 crystallizes in the triclinic P1 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted single-bond geometry to one Sb(1), one S(2), and one S(3) atom. The Co(1)-Sb(1) bond length is 1.09 Å. The Co(1)-S(2) bond length is 2.79 Å. The Co(1)-S(3) bond length is 2.67 Å. In the second Co site, Co(2) is bonded in a distorted single-bond geometry to one Sb(2), one S(3), and one S(4) atom. The Co(2)-Sb(2) bond length is 1.09 Å. The Co(2)-S(3) bond length is 2.80 Å. The Co(2)-S(4) bond length is 2.67 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to one Sb(3), one S(2), and one S(4) atom. The Ni(1)-Sb(3) bond length is 0.49 Å. The Ni(1)-S(2) bond length is 2.62 Å. The Ni(1)-S(4) bond length is 2.64 Å. In the second Ni site, Ni(2) is bonded in a distorted single-bond geometry to one Sb(4), one S(1), one S(2), and one S(3) atom. The Ni(2)-Sb(4) bond length is 0.49 Å. The Ni(2)-S(1) bond length is 2.43 Å. The Ni(2)-S(2) bond length is 2.68 Å. The Ni(2)-S(3) bond length is 2.64 Å. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted single-bond geometry to one Co(1), one S(3), one S(4), and two equivalent S(2) atoms. The Sb(1)-S(3) bond length is 2.76 Å. The Sb(1)-S(4) bond length is 2.76 Å. There is one shorter (2.86 Å) and one longer (3.07 Å) Sb(1)-S(2) bond length. In the second Sb site, Sb(2) is bonded in a distorted single-bond geometry to one Co(2), one S(4), and two equivalent S(3) atoms. The Sb(2)-S(4) bond length is 2.76 Å. There is one shorter (2.69 Å) and one longer (3.20 Å) Sb(2)-S(3) bond length. In the third Sb site, Sb(3) is bonded in a single-bond geometry to one Ni(1) and one S(4) atom. The Sb(3)-S(4) bond length is 2.66 Å. In the fourth Sb site, Sb(4) is bonded in a single-bond geometry to one Ni(2), one S(3), and two equivalent S(2) atoms. The Sb(4)-S(3) bond length is 2.66 Å. There is one shorter (2.84 Å) and one longer (3.18 Å) Sb(4)-S(2) bond length. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 1-coordinate geometry to one Ni(2) atom. In the second S site, S(2) is bonded in a 7-coordinate geometry to one Co(1), one Ni(1), one Ni(2), two equivalent Sb(1), and two equivalent Sb(4) atoms. In the third S site, S(3) is bonded in a 7-coordinate geometry to one Co(1), one Co(2), one Ni(2), one Sb(1), one Sb(4), and two equivalent Sb(2) atoms. In the fourth S site, S(4) is bonded in a 5-coordinate geometry to one Co(2), one Ni(1), one Sb(1), one Sb(2), and one Sb(3) atom.