data_BaIn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn2Cu
_chemical_formula_sum   'Ba1 In2 Cu1'
_cell_volume   115.26
_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
  Ba  Ba0  1  0.32  0.32  0.0  1.0
  In  In2  1  0.0  0.32  0.67  1.0
  In  In3  1  0.32  0.0  0.67  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0

data_BaIn2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.57
_cell_length_b   6.57
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaIn2Cu
_chemical_formula_sum   'Ba2 In4 Cu2'
_cell_volume   230.51
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.32  0.0  0.0  1.0
  In  In1  4  0.16  0.16  0.67  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0

Ba In In Cu
BaCuIn2 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaCuIn2 clusters. Ba(1) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent In(1) atoms. The Ba(1)-Cu(1) bond length is 2.11 Å. Both Ba(1)-In(1) bond lengths are 2.30 Å. Cu(1) is bonded in a distorted single-bond geometry to one Ba(1) atom. In(1) is bonded in a 1-coordinate geometry to one Ba(1) atom.