data_BaBe4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBe4Rh
_chemical_formula_sum   'Ba1 Be4 Rh1'
_cell_volume   85.94
_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
  Ba  Ba0  1  0.75  0.75  0.75  1.0
  Be  Be1  1  0.57  0.57  0.44  1.0
  Be  Be2  1  0.57  0.44  0.57  1.0
  Be  Be3  1  0.44  0.57  0.57  1.0
  Be  Be4  1  0.44  0.44  0.44  1.0
  Rh  Rh5  1  0.0  0.0  0.0  1.0

data_BaBe4Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   12.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaBe4Rh
_chemical_formula_sum   'Ba3 Be12 Rh3'
_cell_volume   257.83
_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
  Ba  Ba0  3  0.0  0.0  0.25  1.0
  Be  Be1  9  0.09  0.04  0.47  1.0
  Be  Be2  3  0.0  0.0  0.56  1.0
  Rh  Rh3  3  0.0  0.0  0.0  1.0

Ba Be Be Be Be Rh
BaBe4Rh crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 13-coordinate geometry to three equivalent Be(2), six equivalent Be(1), and four equivalent Rh(1) atoms. All Ba(1)-Be(2) bond lengths are 2.87 Å. There are three shorter (2.77 Å) and three longer (2.80 Å) Ba(1)-Be(1) bond lengths. There is one shorter (3.02 Å) and three longer (3.04 Å) Ba(1)-Rh(1) bond lengths. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Be(2), two equivalent Be(1), and one Rh(1) atom. The Be(1)-Be(2) bond length is 1.16 Å. Both Be(1)-Be(1) bond lengths are 0.67 Å. The Be(1)-Rh(1) bond length is 3.01 Å. In the second Be site, Be(2) is bonded in a 9-coordinate geometry to three equivalent Ba(1), three equivalent Be(1), and three equivalent Rh(1) atoms. All Be(2)-Rh(1) bond lengths are 3.12 Å. Rh(1) is bonded in a 10-coordinate geometry to four equivalent Ba(1), three equivalent Be(1), and three equivalent Be(2) atoms.