data_BeWAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   4.01
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeWAu
_chemical_formula_sum   'Be1 W1 Au1'
_cell_volume   45.69
_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
  Be  Be1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.26  0.26  0.26  1.0
  Au  Au0  1  0.42  0.42  0.42  1.0

data_BeWAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.01
_cell_length_b   4.01
_cell_length_c   9.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeWAu
_chemical_formula_sum   'Be3 W3 Au3'
_cell_volume   137.08
_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
  Be  Be0  3  0.0  0.0  0.0  1.0
  W  W1  3  0.0  0.0  0.74  1.0
  Au  Au2  3  0.0  0.0  0.58  1.0

Be W Au
BeWAu is half-Heusler structured and crystallizes in the trigonal R3m space group. Be(1) is bonded to four equivalent W(1) and three equivalent Au(1) atoms to form a mixture of distorted edge and corner-sharing BeW4Au3 hexagonal pyramids. There are three shorter (2.44 Å) and one longer (2.52 Å) Be(1)-W(1) bond length. All Be(1)-Au(1) bond lengths are 2.46 Å. W(1) is bonded in a 5-coordinate geometry to four equivalent Be(1) and one Au(1) atom. The W(1)-Au(1) bond length is 1.60 Å. Au(1) is bonded in a 1-coordinate geometry to three equivalent Be(1) and one W(1) atom.