data_BeAgRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   3.92
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAgRh
_chemical_formula_sum   'Be1 Ag1 Rh1'
_cell_volume   42.65
_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
  Ag  Ag0  1  0.39  0.39  0.39  1.0
  Rh  Rh2  1  0.16  0.16  0.16  1.0

data_BeAgRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   9.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeAgRh
_chemical_formula_sum   'Be3 Ag3 Rh3'
_cell_volume   127.95
_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
  Ag  Ag1  3  0.0  0.0  0.61  1.0
  Rh  Rh2  3  0.0  0.0  0.84  1.0

Be Ag Rh
Be Ag Rh 0 2 o o o 0 1 o o - 0 1 o - o 0 1 - o o 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + o 
BeRhAg is half-Heusler structured and crystallizes in the trigonal R3m space group. Be(1) is bonded in a single-bond geometry to one Rh(1) and three equivalent Ag(1) atoms. The Be(1)-Rh(1) bond length is 1.53 Å. All Be(1)-Ag(1) bond lengths are 2.32 Å. Rh(1) is bonded in a distorted single-bond geometry to one Be(1) and four equivalent Ag(1) atoms. There is one shorter (2.18 Å) and three longer (2.48 Å) Rh(1)-Ag(1) bond lengths. Ag(1) is bonded in a 7-coordinate geometry to three equivalent Be(1) and four equivalent Rh(1) atoms.