data_La4Au3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Au3
_chemical_formula_sum   'La4 Au3'
_cell_volume   189.53
_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  La3  1  0.0  0.0  0.57  1.0
  La  La4  1  0.0  0.0  0.59  1.0
  La  La5  1  0.0  0.44  0.0  1.0
  La  La6  1  0.98  0.72  0.0  1.0
  Au  Au0  1  0.98  0.0  0.08  1.0
  Au  Au1  1  0.51  0.58  0.08  1.0
  Au  Au2  1  0.49  0.58  0.08  1.0

data_La4Au3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.96
_cell_length_b   5.96
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Au3
_chemical_formula_sum   'La4 Au3'
_cell_volume   189.53
_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  0.0  0.0  0.57  1.0
  La  La1  1  0.0  0.0  0.59  1.0
  La  La2  1  0.0  0.44  0.0  1.0
  La  La3  1  0.98  0.72  0.0  1.0
  Au  Au4  1  0.49  0.58  0.08  1.0
  Au  Au5  1  0.51  0.58  0.08  1.0
  Au  Au6  1  0.98  0.0  0.08  1.0

La La La La Au Au Au
La4Au3 crystallizes in the triclinic P1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a linear geometry to one La(2) and one Au(1) atom. The La(1)-La(2) bond length is 0.11 Å. The La(1)-Au(1) bond length is 3.02 Å. In the second La site, La(2) is bonded in a distorted linear geometry to one La(1) and one Au(1) atom. The La(2)-Au(1) bond length is 3.02 Å. In the third La site, La(3) is bonded in a 3-coordinate geometry to one La(4), one Au(1), and one Au(3) atom. The La(3)-La(4) bond length is 1.71 Å. The La(3)-Au(1) bond length is 2.64 Å. The La(3)-Au(3) bond length is 2.66 Å. In the fourth La site, La(4) is bonded in a distorted single-bond geometry to one La(3), one Au(1), and one Au(2) atom. The La(4)-Au(1) bond length is 1.72 Å. The La(4)-Au(2) bond length is 2.56 Å. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a 1-coordinate geometry to one La(1), one La(2), one La(3), and one La(4) atom. In the second Au site, Au(2) is bonded in a 2-coordinate geometry to one La(4) and one Au(3) atom. The Au(2)-Au(3) bond length is 0.11 Å. In the third Au site, Au(3) is bonded in a distorted bent 150 degrees geometry to one La(3) and one Au(2) atom.