data_SrCa4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   6.76
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCa4Rh
_chemical_formula_sum   'Sr1 Ca4 Rh1'
_cell_volume   218.6
_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  Sr5  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.96  0.96  0.6  1.0
  Ca  Ca1  1  0.96  0.6  0.96  1.0
  Ca  Ca2  1  0.6  0.96  0.96  1.0
  Ca  Ca3  1  0.6  0.6  0.6  1.0
  Rh  Rh4  1  0.17  0.17  0.17  1.0

data_SrCa4Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   16.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrCa4Rh
_chemical_formula_sum   'Sr3 Ca12 Rh3'
_cell_volume   655.79
_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  3  0.0  0.0  0.0  1.0
  Ca  Ca1  9  0.21  0.42  0.82  1.0
  Ca  Ca2  3  0.0  0.0  0.4  1.0
  Rh  Rh3  3  0.0  0.0  0.83  1.0

Sr Ca Ca Ca Ca Rh
Sr Ca Ca Ca Ca Rh 0 3 - - - 0 2 - - - 0 1 - - - 0 5 o o o 0 4 o - - 0 4 - o - 0 4 - - o 1 2 o o o 1 3 o o o 1 5 + + o 1 4 + o o 1 4 o + o 1 4 o o o 2 3 o o o 2 5 + o + 2 4 + o o 2 4 o o + 2 4 o o o 3 5 o + + 3 4 o + o 3 4 o o + 3 4 o o o 4 5 o o + 4 5 o + o 4 5 + o o 
SrCa4Rh crystallizes in the trigonal R3m space group. Sr(1) is bonded in a distorted single-bond geometry to three equivalent Ca(2) and one Rh(1) atom. All Sr(1)-Ca(2) bond lengths are 4.06 Å. The Sr(1)-Rh(1) bond length is 2.85 Å. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a single-bond geometry to two equivalent Ca(2) and one Rh(1) atom. Both Ca(1)-Ca(2) bond lengths are 3.74 Å. The Ca(1)-Rh(1) bond length is 2.48 Å. In the second Ca site, Ca(2) is bonded in a 9-coordinate geometry to three equivalent Sr(1) and six equivalent Ca(1) atoms. Rh(1) is bonded in a trigonal pyramidal geometry to one Sr(1) and three equivalent Ca(1) atoms.