data_MnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   132.94
_cell_angle_beta   132.94
_cell_angle_gamma   68.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr
_chemical_formula_sum   'Mn2 Cr2'
_cell_volume   45.35
_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
  Mn  Mn2  1  0.76  0.0  0.82  1.0
  Mn  Mn3  1  0.0  0.0  0.65  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.76  0.82  1.0

data_MnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.53
_cell_length_c   4.42
_cell_angle_alpha   113.53
_cell_angle_beta   113.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr
_chemical_formula_sum   'Mn2 Cr2'
_cell_volume   45.35
_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
  Mn  Mn0  1  0.65  0.65  0.65  1.0
  Mn  Mn1  1  0.82  0.06  0.06  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.06  0.82  0.06  1.0

Mn Mn Cr Cr
Mn Mn Cr Cr 0 2 + o + 0 1 + o o 1 3 o - o 1 2 o o + 2 3 o - - 
CrMn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CrMn cluster. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted water-like geometry to one Cr(2), one Mn(1), and one Mn(2) atom. The Cr(1)-Cr(2) bond length is 0.77 Å. The Cr(1)-Mn(1) bond length is 0.77 Å. The Cr(1)-Mn(2) bond length is 1.57 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one Cr(1) and one Mn(2) atom. The Cr(2)-Mn(2) bond length is 1.68 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Cr(1) atom. In the second Mn site, Mn(2) is bonded in a 2-coordinate geometry to one Cr(1) and one Cr(2) atom.