data_La2CoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CoAu
_chemical_formula_sum   'La2 Co1 Au1'
_cell_volume   96.76
_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  La2  1  0.8  0.8  0.68  1.0
  La  La3  1  0.8  0.8  0.79  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.74  1.0

data_La2CoAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   7.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2CoAu
_chemical_formula_sum   'La4 Co2 Au2'
_cell_volume   193.53
_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
  La  La0  2  0.3  0.5  0.68  1.0
  La  La1  2  0.3  0.5  0.79  1.0
  Co  Co2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.74  1.0

La La Co Au
La La Co Au 0 1 o o o 0 3 + + o 1 2 + + + 1 3 + + o 2 3 o o - 
La2CoAu crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two La2CoAu clusters. 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 Au(1) atom. The La(1)-La(2) bond length is 0.84 Å. The La(1)-Au(1) bond length is 1.11 Å. In the second La site, La(2) is bonded in a 1-coordinate geometry to one La(1), one Co(1), and one Au(1) atom. The La(2)-Co(1) bond length is 1.85 Å. The La(2)-Au(1) bond length is 1.11 Å. Co(1) is bonded in a 2-coordinate geometry to one La(2) and one Au(1) atom. The Co(1)-Au(1) bond length is 1.96 Å. Au(1) is bonded in a 2-coordinate geometry to one La(1), one La(2), and one Co(1) atom.