data_La4InAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4InAu
_chemical_formula_sum   'La4 In1 Au1'
_cell_volume   188.48
_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  0.69  0.69  0.41  1.0
  La  La3  1  0.69  0.41  0.69  1.0
  La  La4  1  0.41  0.69  0.69  1.0
  La  La5  1  0.41  0.41  0.41  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.83  0.83  0.83  1.0

data_La4InAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   15.76
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   La4InAu
_chemical_formula_sum   'La12 In3 Au3'
_cell_volume   565.45
_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+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.19  0.09  0.4  1.0
  La  La1  3  0.0  0.0  0.59  1.0
  In  In2  3  0.0  0.0  0.0  1.0
  Au  Au3  3  0.0  0.0  0.17  1.0

La La La La In Au
La4AuIn crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to one La(2), two equivalent La(1), one Au(1), and one In(1) atom. The La(1)-La(2) bond length is 3.15 Å. Both La(1)-La(1) bond lengths are 1.82 Å. The La(1)-Au(1) bond length is 3.14 Å. The La(1)-In(1) bond length is 2.88 Å. In the second La site, La(2) is bonded in a 9-coordinate geometry to three equivalent La(1), three equivalent Au(1), and three equivalent In(1) atoms. All La(2)-Au(1) bond lengths are 3.94 Å. All La(2)-In(1) bond lengths are 3.90 Å. Au(1) is bonded in a 4-coordinate geometry to three equivalent La(1), three equivalent La(2), and one In(1) atom. The Au(1)-In(1) bond length is 2.74 Å. In(1) is bonded in a 4-coordinate geometry to three equivalent La(1), three equivalent La(2), and one Au(1) atom.