data_ZrMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn
_chemical_formula_sum   'Zr2 Mn2'
_cell_volume   75.66
_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
  Zr  Zr2  1  0.0  0.76  0.32  1.0
  Zr  Zr3  1  0.53  0.88  0.05  1.0
  Mn  Mn0  1  0.0  0.76  0.35  1.0
  Mn  Mn1  1  0.53  0.88  0.02  1.0

data_ZrMn
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   9.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrMn
_chemical_formula_sum   'Zr2 Mn2'
_cell_volume   75.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Zr  Zr0  2  0.26  0.56  0.86  1.0
  Mn  Mn1  2  0.26  0.56  0.84  1.0

Zr Zr Mn Mn
ZrMn is alpha carbon monoxide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two manganese--zirconium (1/1) molecules. Zr(1) is bonded in a single-bond geometry to one Mn(1) atom. The Zr(1)-Mn(1) bond length is 0.27 Å. Mn(1) is bonded in a single-bond geometry to one Zr(1) atom.