data_SrCaRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaRh2
_chemical_formula_sum   'Sr1 Ca1 Rh2'
_cell_volume   84.97
_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  Sr3  1  0.23  0.23  0.23  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.49  0.49  0.49  1.0
  Rh  Rh2  1  0.74  0.74  0.74  1.0

data_SrCaRh2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   12.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   SrCaRh2
_chemical_formula_sum   'Sr3 Ca3 Rh6'
_cell_volume   254.92
_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  0.77  1.0
  Ca  Ca1  3  0.0  0.0  -0.0  1.0
  Rh  Rh2  3  0.0  0.0  0.26  1.0
  Rh  Rh3  3  0.0  0.0  0.51  1.0

Sr Ca Rh Rh
Sr Ca Rh Rh 0 1 o o o 0 1 o o + 0 1 + o o 0 1 o + o 0 3 - - o 0 3 - o - 0 3 - o o 0 3 o - - 0 3 o - o 0 3 o o - 0 2 - o o 0 2 o - o 0 2 o o - 0 2 o o o 1 2 - - o 1 2 - o - 1 2 - o o 1 2 o - - 1 2 o - o 1 2 o o - 1 3 - - - 1 3 - - o 1 3 - o - 1 3 o - - 2 3 - o o 2 3 o - o 2 3 o o - 2 3 o o o 
SrCaRh2 is Zintl Phase-derived structured and crystallizes in the trigonal R3m space group. Sr(1) is bonded in a 14-coordinate geometry to four equivalent Ca(1), four equivalent Rh(1), and six equivalent Rh(2) atoms. There is one shorter (2.83 Å) and three longer (3.09 Å) Sr(1)-Ca(1) bond lengths. There are three shorter (3.00 Å) and one longer (3.09 Å) Sr(1)-Rh(1) bond length. There are three shorter (3.42 Å) and three longer (3.56 Å) Sr(1)-Rh(2) bond lengths. Ca(1) is bonded in a 14-coordinate geometry to four equivalent Sr(1), four equivalent Rh(2), and six equivalent Rh(1) atoms. There are three shorter (3.00 Å) and one longer (3.09 Å) Ca(1)-Rh(2) bond length. There are three shorter (3.42 Å) and three longer (3.56 Å) Ca(1)-Rh(1) bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded to four equivalent Sr(1) and six equivalent Ca(1) atoms to form distorted RhSr4Ca6 tetrahedra that share corners with six equivalent Rh(1)Sr4Ca6 tetrahedra, edges with twelve equivalent Rh(2)Sr6Ca4 tetrahedra, faces with four equivalent Rh(2)Sr6Ca4 tetrahedra, and faces with twelve equivalent Rh(1)Sr4Ca6 tetrahedra. In the second Rh site, Rh(2) is bonded to six equivalent Sr(1) and four equivalent Ca(1) atoms to form distorted RhSr6Ca4 tetrahedra that share corners with six equivalent Rh(2)Sr6Ca4 tetrahedra, edges with twelve equivalent Rh(1)Sr4Ca6 tetrahedra, faces with four equivalent Rh(1)Sr4Ca6 tetrahedra, and faces with twelve equivalent Rh(2)Sr6Ca4 tetrahedra.