data_Sr4SiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   6.49
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr4SiRh
_chemical_formula_sum   'Sr4 Si1 Rh1'
_cell_volume   193.54
_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
  Sr  Sr2  1  0.74  0.74  0.44  1.0
  Sr  Sr3  1  0.74  0.44  0.74  1.0
  Sr  Sr4  1  0.44  0.74  0.74  1.0
  Sr  Sr5  1  0.44  0.44  0.44  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.89  0.89  0.89  1.0

data_Sr4SiRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   15.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr4SiRh
_chemical_formula_sum   'Sr12 Si3 Rh3'
_cell_volume   580.61
_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
  Sr  Sr0  9  0.19  0.1  0.36  1.0
  Sr  Sr1  3  0.0  0.0  0.56  1.0
  Si  Si2  3  0.0  0.0  0.0  1.0
  Rh  Rh3  3  0.0  0.0  0.11  1.0

Sr Sr Sr Sr Si Rh
Sr Sr Sr Sr Si Rh 0 1 o o o 0 2 o o o 0 3 + o o 0 3 o + o 0 3 o o o 1 2 o o o 1 3 + o o 1 3 o o + 1 3 o o o 2 3 o + o 2 3 o o + 2 3 o o o 3 4 o o + 3 4 o + o 3 4 + o o 3 5 - o o 3 5 o - o 3 5 o o - 4 5 - - - 
Sr4RhSi crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to two equivalent Sr(1), three equivalent Sr(2), one Rh(1), and one Si(1) atom. Both Sr(1)-Sr(1) bond lengths are 1.90 Å. There is one shorter (3.29 Å) and two longer (4.00 Å) Sr(1)-Sr(2) bond lengths. The Sr(1)-Rh(1) bond length is 2.99 Å. The Sr(1)-Si(1) bond length is 2.69 Å. In the second Sr site, Sr(2) is bonded in a 12-coordinate geometry to nine equivalent Sr(1) and three equivalent Rh(1) atoms. All Sr(2)-Rh(1) bond lengths are 4.13 Å. Rh(1) is bonded in a distorted single-bond geometry to three equivalent Sr(1), three equivalent Sr(2), and one Si(1) atom. The Rh(1)-Si(1) bond length is 1.80 Å. Si(1) is bonded in a distorted trigonal pyramidal geometry to three equivalent Sr(1) and one Rh(1) atom.