data_MnCoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   154.43
_cell_angle_beta   154.43
_cell_angle_gamma   36.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoNi
_chemical_formula_sum   'Mn1 Co1 Ni1'
_cell_volume   31.76
_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  Mn1  1  0.0  0.0  0.98  1.0
  Co  Co0  1  0.0  0.0  0.06  1.0
  Ni  Ni2  1  0.0  0.0  0.5  1.0

data_MnCoNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   108.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCoNi
_chemical_formula_sum   'Mn2 Co2 Ni2'
_cell_volume   63.52
_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  0.48  0.5  0.98  1.0
  Co  Co1  2  0.06  0.0  0.06  1.0
  Ni  Ni2  2  0.5  0.0  0.5  1.0

Mn Co Ni
Mn Co Ni 0 1 o o + 0 2 o o + 0 2 o o o 1 2 o o o 2 2 + o + 2 2 o + + 
NiCoMn crystallizes in the monoclinic Cm space group. Mn(1) is bonded in a single-bond geometry to one Co(1) and one Ni(1) atom. The Mn(1)-Co(1) bond length is 0.44 Å. The Mn(1)-Ni(1) bond length is 2.68 Å. Co(1) is bonded in a single-bond geometry to one Mn(1) and one Ni(1) atom. The Co(1)-Ni(1) bond length is 2.43 Å. Ni(1) is bonded in a 6-coordinate geometry to one Mn(1), one Co(1), and four equivalent Ni(1) atoms. All Ni(1)-Ni(1) bond lengths are 2.46 Å.