data_MnCo2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   3.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCo2Ni
_chemical_formula_sum   'Mn1 Co2 Ni1'
_cell_volume   44.16
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.77  0.0  0.77  1.0
  Co  Co1  1  0.0  0.77  0.77  1.0
  Ni  Ni3  1  0.77  0.77  0.0  1.0

data_MnCo2Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   3.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCo2Ni
_chemical_formula_sum   'Mn2 Co4 Ni2'
_cell_volume   88.32
_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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  Co  Co1  4  0.38  0.38  0.77  1.0
  Ni  Ni2  2  0.27  0.5  0.0  1.0

Mn Co Co Ni
MnCo2Ni is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two MnCo2Ni clusters. Mn(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one Ni(1) atom. Both Mn(1)-Co(1) bond lengths are 1.16 Å. The Mn(1)-Ni(1) bond length is 1.16 Å. Co(1) is bonded in a 3-coordinate geometry to one Mn(1), one Co(1), and one Ni(1) atom. The Co(1)-Co(1) bond length is 1.16 Å. The Co(1)-Ni(1) bond length is 1.16 Å. Ni(1) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Co(1) atoms.