data_La2MnCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   4.31
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   111.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnCu
_chemical_formula_sum   'La2 Mn1 Cu1'
_cell_volume   94.75
_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
  La  La1  1  0.95  0.0  0.77  1.0
  La  La2  1  0.88  0.15  0.76  1.0
  Mn  Mn3  1  0.7  0.0  0.67  1.0
  Cu  Cu0  1  0.81  0.15  0.88  1.0

data_La2MnCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.31
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   111.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnCu
_chemical_formula_sum   'La2 Mn1 Cu1'
_cell_volume   94.75
_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
  La  La0  1  0.88  0.15  0.76  1.0
  La  La1  1  0.95  0.0  0.77  1.0
  Mn  Mn2  1  0.7  0.0  0.67  1.0
  Cu  Cu3  1  0.81  0.15  0.88  1.0

La La Mn Cu
La2MnCu crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one La2MnCu cluster. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 2-coordinate geometry to one La(2) and one Mn(1) atom. The La(1)-La(2) bond length is 0.72 Å. The La(1)-Mn(1) bond length is 1.00 Å. In the second La site, La(2) is bonded in a 3-coordinate geometry to one La(1), one Mn(1), and one Cu(1) atom. The La(2)-Mn(1) bond length is 1.00 Å. The La(2)-Cu(1) bond length is 0.83 Å. Mn(1) is bonded in a 3-coordinate geometry to one La(1), one La(2), and one Cu(1) atom. The Mn(1)-Cu(1) bond length is 1.27 Å. Cu(1) is bonded in a single-bond geometry to one La(2) and one Mn(1) atom.