data_CoNiSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiSb2
_chemical_formula_sum   'Co1 Ni1 Sb2'
_cell_volume   66.3
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.21  1.0
  Sb  Sb2  1  0.61  0.61  0.85  1.0
  Sb  Sb3  1  0.61  0.61  0.57  1.0

data_CoNiSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoNiSb2
_chemical_formula_sum   'Co2 Ni2 Sb4'
_cell_volume   132.59
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.21  1.0
  Sb  Sb2  2  0.11  0.5  0.57  1.0
  Sb  Sb3  2  0.11  0.5  0.85  1.0

Co Ni Sb Sb
CoNiSb2 crystallizes in the monoclinic Cm space group. Co(1) is bonded in a 5-coordinate geometry to one Ni(1) and four equivalent Sb(1) atoms. The Co(1)-Ni(1) bond length is 1.36 Å. There are a spread of Co(1)-Sb(1) bond distances ranging from 2.03-2.92 Å. Ni(1) is bonded in a distorted single-bond geometry to one Co(1) and one Sb(2) atom. The Ni(1)-Sb(2) bond length is 2.92 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 5-coordinate geometry to four equivalent Co(1) and one Sb(2) atom. The Sb(1)-Sb(2) bond length is 1.80 Å. In the second Sb site, Sb(2) is bonded in a 2-coordinate geometry to one Ni(1) and one Sb(1) atom.