data_MnCrCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   137.62
_cell_angle_beta   137.62
_cell_angle_gamma   61.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrCu2
_chemical_formula_sum   'Mn1 Cr1 Cu2'
_cell_volume   45.9
_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  Mn3  1  0.0  0.0  0.02  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.69  0.0  0.01  1.0
  Cu  Cu2  1  0.0  0.69  0.01  1.0

data_MnCrCu2
_symmetry_space_group_name_H-M   Fmm2
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   8.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   42
_chemical_formula_structural   MnCrCu2
_chemical_formula_sum   'Mn4 Cr4 Cu8'
_cell_volume   183.59
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y, z+1/2'
  6  '-x+1/2, -y, z+1/2'
  7  '-x+1/2, y, z+1/2'
  8  'x+1/2, -y, z+1/2'
  9  'x+1/2, y+1/2, z'
  10  '-x+1/2, -y+1/2, z'
  11  '-x+1/2, y+1/2, z'
  12  'x+1/2, -y+1/2, z'
  13  'x, y+1/2, z+1/2'
  14  '-x, -y+1/2, z+1/2'
  15  '-x, y+1/2, z+1/2'
  16  'x, -y+1/2, z+1/2'
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  0.0  0.0  0.98  1.0
  Cr  Cr1  4  0.0  0.0  0.99  1.0
  Cu  Cu2  8  0.0  0.16  0.83  1.0

Mn Cr Cu Cu
CrMnCu2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CrMnCu2 clusters. Cr(1) is bonded in a single-bond geometry to one Mn(1) atom. The Cr(1)-Mn(1) bond length is 0.09 Å. Mn(1) is bonded in a distorted single-bond geometry to one Cr(1) and two equivalent Cu(1) atoms. Both Mn(1)-Cu(1) bond lengths are 1.42 Å. Cu(1) is bonded in a distorted single-bond geometry to one Mn(1) atom.