data_LaAu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAu4
_chemical_formula_sum   'La1 Au4'
_cell_volume   150.9
_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  La4  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.68  0.32  0.68  1.0
  Au  Au1  1  0.68  0.68  0.68  1.0
  Au  Au2  1  0.68  0.68  0.32  1.0
  Au  Au3  1  0.32  0.68  0.68  1.0

data_LaAu4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.49
_cell_length_b   9.49
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaAu4
_chemical_formula_sum   'La3 Au12'
_cell_volume   452.71
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
  10  '-y+2/3, -x+1/3, z+1/3'
  11  '-x+y+2/3, y+1/3, z+1/3'
  12  'x+2/3, x-y+1/3, z+1/3'
  13  'x+1/3, y+2/3, z+2/3'
  14  '-y+1/3, x-y+2/3, z+2/3'
  15  '-x+y+1/3, -x+2/3, z+2/3'
  16  '-y+1/3, -x+2/3, z+2/3'
  17  '-x+y+1/3, y+2/3, z+2/3'
  18  'x+1/3, x-y+2/3, z+2/3'
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  3  0.0  0.0  0.0  1.0
  Au  Au1  9  0.1  0.55  0.23  1.0
  Au  Au2  3  0.0  0.0  0.68  1.0

La Au Au Au Au
LaAu4 crystallizes in the trigonal R3m space group. La(1) is bonded in a single-bond geometry to one Au(2) and six equivalent Au(1) atoms. The La(1)-Au(2) bond length is 1.88 Å. There are three shorter (3.59 Å) and three longer (3.78 Å) La(1)-Au(1) bond lengths. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 3-coordinate geometry to two equivalent La(1) and one Au(2) atom. The Au(1)-Au(2) bond length is 2.06 Å. In the second Au site, Au(2) is bonded in a single-bond geometry to one La(1) and three equivalent Au(1) atoms.