data_LaHfBeAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfBeAu
_chemical_formula_sum   'La1 Hf1 Be1 Au1'
_cell_volume   80.31
_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  0.14  0.14  0.14  1.0
  Hf  Hf2  1  0.42  0.42  0.42  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.71  0.71  0.71  1.0

data_LaHfBeAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   11.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaHfBeAu
_chemical_formula_sum   'La3 Hf3 Be3 Au3'
_cell_volume   240.93
_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  0.86  1.0
  Hf  Hf1  3  0.0  0.0  0.58  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  Au  Au3  3  0.0  0.0  0.29  1.0

La Hf Be Au
BeLaHfAu crystallizes in the trigonal R3m space group. Be(1) is bonded in a single-bond geometry to one La(1), three equivalent Hf(1), and three equivalent Au(1) atoms. The Be(1)-La(1) bond length is 1.62 Å. All Be(1)-Hf(1) bond lengths are 3.00 Å. All Be(1)-Au(1) bond lengths are 2.85 Å. La(1) is bonded in a single-bond geometry to one Be(1), four equivalent Hf(1), and three equivalent Au(1) atoms. There are three shorter (2.85 Å) and one longer (3.41 Å) La(1)-Hf(1) bond length. All La(1)-Au(1) bond lengths are 3.00 Å. Hf(1) is bonded in a 11-coordinate geometry to three equivalent Be(1), four equivalent La(1), and four equivalent Au(1) atoms. There are three shorter (2.85 Å) and one longer (3.41 Å) Hf(1)-Au(1) bond length. Au(1) is bonded in a 10-coordinate geometry to three equivalent Be(1), three equivalent La(1), and four equivalent Hf(1) atoms.