data_YMn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   4.13
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Cu
_chemical_formula_sum   'Y1 Mn2 Cu1'
_cell_volume   60.73
_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
  Y  Y3  1  0.0  0.07  0.21  1.0
  Mn  Mn1  1  0.66  0.07  0.0  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.66  0.0  0.21  1.0

data_YMn2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   4.13
_cell_length_c   4.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Cu
_chemical_formula_sum   'Y1 Mn2 Cu1'
_cell_volume   60.73
_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
  Y  Y0  1  -0.0  0.07  0.21  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.66  0.07  -0.0  1.0
  Cu  Cu3  1  0.66  0.0  0.21  1.0

Y Mn Mn Cu
YMn2Cu is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one YMn2Cu cluster. Y(1) is bonded in a distorted L-shaped geometry to one Mn(2) and one Cu(1) atom. The Y(1)-Mn(2) bond length is 0.98 Å. The Y(1)-Cu(1) bond length is 1.16 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Cu(1) atom. The Mn(1)-Cu(1) bond length is 0.98 Å. In the second Mn site, Mn(2) is bonded in a single-bond geometry to one Y(1) atom. Cu(1) is bonded in a distorted L-shaped geometry to one Y(1) and one Mn(1) atom.