data_MgCoSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   4.04
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   105.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCoSb2
_chemical_formula_sum   'Mg1 Co1 Sb2'
_cell_volume   83.74
_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  Mg1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.89  1.0
  Sb  Sb2  1  0.95  0.02  0.58  1.0
  Sb  Sb3  1  0.05  0.02  0.2  1.0

data_MgCoSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.04
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   105.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCoSb2
_chemical_formula_sum   'Mg1 Co1 Sb2'
_cell_volume   83.74
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.89  1.0
  Sb  Sb2  1  0.05  0.02  0.2  1.0
  Sb  Sb3  1  0.95  0.02  0.58  1.0

Mg Co Sb Sb
MgCoSb2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one MgCoSb2 cluster. Mg(1) is bonded in a linear geometry to one Co(1) and one Sb(2) atom. The Mg(1)-Co(1) bond length is 0.68 Å. The Mg(1)-Sb(2) bond length is 1.14 Å. Co(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Sb(1) atom. The Co(1)-Sb(1) bond length is 1.81 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted single-bond geometry to one Co(1) atom. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Mg(1) atom.