data_Mn3Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   4.24
_cell_angle_alpha   131.75
_cell_angle_beta   131.75
_cell_angle_gamma   70.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Co
_chemical_formula_sum   'Mn3 Co1'
_cell_volume   41.62
_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  0.0  1.0
  Mn  Mn2  1  0.73  0.0  0.73  1.0
  Mn  Mn3  1  0.0  0.73  0.73  1.0
  Co  Co0  1  0.0  0.0  0.46  1.0

data_Mn3Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.24
_cell_angle_alpha   90.0
_cell_angle_beta   125.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn3Co
_chemical_formula_sum   'Mn6 Co2'
_cell_volume   83.24
_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  4  0.13  0.87  1.0  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Co  Co2  2  0.0  0.0  0.46  1.0

Mn Mn Mn Co
Mn3Co crystallizes in the monoclinic Cm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn(2) and one Co(1) atom. Both Mn(1)-Mn(2) bond lengths are 0.93 Å. The Mn(1)-Co(1) bond length is 1.96 Å. In the second Mn site, Mn(2) is bonded in a distorted single-bond geometry to one Mn(1) and two equivalent Co(1) atoms. There is one shorter (2.07 Å) and one longer (2.50 Å) Mn(2)-Co(1) bond length. Co(1) is bonded in a 5-coordinate geometry to one Mn(1) and four equivalent Mn(2) atoms.