data_SiRh4Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiRh4Se
_chemical_formula_sum   'Si1 Rh4 Se1'
_cell_volume   97.04
_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
  Si  Si5  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.56  0.56  0.74  1.0
  Rh  Rh1  1  0.56  0.74  0.56  1.0
  Rh  Rh2  1  0.74  0.56  0.56  1.0
  Rh  Rh3  1  0.74  0.74  0.74  1.0
  Se  Se4  1  0.47  0.47  0.47  1.0

data_SiRh4Se
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SiRh4Se
_chemical_formula_sum   'Si3 Rh12 Se3'
_cell_volume   291.13
_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
  Si  Si0  3  0.0  0.0  0.0  1.0
  Rh  Rh1  9  0.06  0.12  0.38  1.0
  Rh  Rh2  3  0.0  0.0  0.26  1.0
  Se  Se3  3  0.0  0.0  0.53  1.0

Si Rh Rh Rh Rh Se
Si Rh Rh Rh Rh Se 0 4 - - - 0 4 - - o 0 4 - o - 0 4 o - - 0 3 - - o 0 3 - o - 0 2 - - o 0 2 o - - 0 1 - o - 0 1 o - - 0 5 - o o 0 5 o - o 0 5 o o - 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
Rh4SiSe crystallizes in the trigonal R3m space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 2-coordinate geometry to one Rh(2), two equivalent Rh(1), two equivalent Si(1), and one Se(1) atom. The Rh(1)-Rh(2) bond length is 1.61 Å. Both Rh(1)-Rh(1) bond lengths are 0.93 Å. Both Rh(1)-Si(1) bond lengths are 2.82 Å. The Rh(1)-Se(1) bond length is 1.92 Å. In the second Rh site, Rh(2) is bonded in a 10-coordinate geometry to three equivalent Rh(1), four equivalent Si(1), and three equivalent Se(1) atoms. There are three shorter (3.11 Å) and one longer (3.31 Å) Rh(2)-Si(1) bond length. All Rh(2)-Se(1) bond lengths are 3.09 Å. Si(1) is bonded in a 10-coordinate geometry to four equivalent Rh(2) and six equivalent Rh(1) atoms. Se(1) is bonded in a 6-coordinate geometry to three equivalent Rh(1) and three equivalent Rh(2) atoms.