data_LaMnAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnAu3
_chemical_formula_sum   'La1 Mn1 Au3'
_cell_volume   122.17
_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  0.48  0.48  0.48  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.48  0.0  1.0
  Au  Au2  1  0.0  0.0  0.48  1.0
  Au  Au3  1  0.48  0.0  0.0  1.0

data_LaMnAu3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaMnAu3
_chemical_formula_sum   'La3 Mn3 Au9'
_cell_volume   366.5
_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  3  0.0  0.0  0.48  1.0
  Mn  Mn1  3  0.0  0.0  0.0  1.0
  Au  Au2  9  0.17  0.35  0.83  1.0

La Mn Au Au Au
LaMnAu3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. La(1) is bonded to twelve equivalent Au(1) atoms to form LaAu12 cuboctahedra that share corners with twelve equivalent La(1)Au12 cuboctahedra, faces with six equivalent La(1)Au12 cuboctahedra, and faces with eight equivalent Mn(1)Au6 octahedra. There are a spread of La(1)-Au(1) bond distances ranging from 3.38-3.64 Å. Mn(1) is bonded to six equivalent Au(1) atoms to form MnAu6 octahedra that share corners with six equivalent Mn(1)Au6 octahedra and faces with eight equivalent La(1)Au12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.39 Å) and three longer (2.58 Å) Mn(1)-Au(1) bond lengths. Au(1) is bonded in a distorted linear geometry to four equivalent La(1) and two equivalent Mn(1) atoms.