data_BaMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   10.12
_cell_angle_alpha   100.71
_cell_angle_beta   100.71
_cell_angle_gamma   58.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2
_chemical_formula_sum   'Ba2 Mn4'
_cell_volume   152.7
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.18  0.0  0.35  1.0
  Ba  Ba1  1  0.12  0.0  0.81  1.0
  Mn  Mn2  1  0.76  0.0  0.5  1.0
  Mn  Mn3  1  0.37  0.0  0.74  1.0
  Mn  Mn4  1  0.77  0.0  0.58  1.0
  Mn  Mn5  1  0.22  0.0  0.45  1.0

data_BaMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.26
_cell_length_c   10.12
_cell_angle_alpha   100.71
_cell_angle_beta   90.0
_cell_angle_gamma   119.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2
_chemical_formula_sum   'Ba2 Mn4'
_cell_volume   152.7
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.0  0.82  0.65  1.0
  Ba  Ba1  1  0.0  0.88  0.19  1.0
  Mn  Mn2  1  0.0  0.23  0.42  1.0
  Mn  Mn3  1  0.0  0.24  0.5  1.0
  Mn  Mn4  1  0.0  0.63  0.26  1.0
  Mn  Mn5  1  0.0  0.78  0.55  1.0

Ba Ba Mn Mn Mn Mn
BaMnMn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one manganese molecule and two BaMn clusters. In each BaMn cluster, Ba(1) is bonded in a single-bond geometry to one Mn(4) atom. The Ba(1)-Mn(4) bond length is 0.95 Å. Mn(4) is bonded in a single-bond geometry to one Ba(1) atom.