data_TiBe2Rh
_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   TiBe2Rh
_chemical_formula_sum   'Ti1 Be2 Rh1'
_cell_volume   45.72
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.26  0.26  0.26  1.0
  Be  Be1  1  0.42  0.42  0.42  1.0
  Rh  Rh2  1  0.84  0.84  0.84  1.0

data_TiBe2Rh
_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   TiBe2Rh
_chemical_formula_sum   'Ti3 Be6 Rh3'
_cell_volume   137.16
_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
  Ti  Ti0  3  0.0  0.0  0.0  1.0
  Be  Be1  3  0.0  0.0  0.58  1.0
  Be  Be2  3  0.0  0.0  0.74  1.0
  Rh  Rh3  3  0.0  0.0  0.16  1.0

Ti Be Be Rh
Be2TiRh crystallizes in the trigonal R3m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 8-coordinate geometry to one Be(2), four equivalent Ti(1), and three equivalent Rh(1) atoms. The Be(1)-Be(2) bond length is 1.59 Å. There are three shorter (2.44 Å) and one longer (2.53 Å) Be(1)-Ti(1) bond length. All Be(1)-Rh(1) bond lengths are 2.47 Å. In the second Be site, Be(2) is bonded to one Be(1) and three equivalent Rh(1) atoms to form distorted corner-sharing BeBeRh3 tetrahedra. All Be(2)-Rh(1) bond lengths are 2.47 Å. Ti(1) is bonded in a single-bond geometry to four equivalent Be(1) and one Rh(1) atom. The Ti(1)-Rh(1) bond length is 1.59 Å. Rh(1) is bonded in a distorted single-bond geometry to three equivalent Be(1), three equivalent Be(2), and one Ti(1) atom.