data_BaLaCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaCu2
_chemical_formula_sum   'Ba1 La1 Cu2'
_cell_volume   122.85
_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  0.0  0.0  0.87  1.0
  La  La3  1  0.08  0.08  0.8  1.0
  Cu  Cu1  1  0.08  0.08  0.08  1.0
  Cu  Cu2  1  0.0  0.0  0.04  1.0

data_BaLaCu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaLaCu2
_chemical_formula_sum   'Ba2 La2 Cu4'
_cell_volume   245.69
_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  0.0  0.0  0.87  1.0
  La  La1  2  0.08  0.0  0.8  1.0
  Cu  Cu2  2  0.0  0.0  0.04  1.0
  Cu  Cu3  2  0.08  0.0  0.08  1.0

Ba La Cu Cu
Ba La Cu Cu 0 1 o o o 2 3 o o o 
BaLaCu2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two BaLaCu2 clusters. Ba(1) is bonded in a bent 150 degrees geometry to one La(1) and one Cu(2) atom. The Ba(1)-La(1) bond length is 0.70 Å. The Ba(1)-Cu(2) bond length is 1.17 Å. La(1) is bonded in a single-bond geometry to one Ba(1) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Cu(2) atom. The Cu(1)-Cu(2) bond length is 0.57 Å. In the second Cu site, Cu(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one Cu(1) atom.