data_Sr2MoRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MoRh
_chemical_formula_sum   'Sr2 Mo1 Rh1'
_cell_volume   99.72
_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  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.52  0.52  0.52  1.0
  Mo  Mo0  1  0.68  0.68  0.68  1.0
  Rh  Rh1  1  0.84  0.84  0.84  1.0

data_Sr2MoRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   12.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Sr2MoRh
_chemical_formula_sum   'Sr6 Mo3 Rh3'
_cell_volume   299.15
_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
  Sr  Sr1  3  0.0  0.0  0.48  1.0
  Mo  Mo2  3  0.0  0.0  0.32  1.0
  Rh  Rh3  3  0.0  0.0  0.16  1.0

Sr Sr Mo Rh
Sr2MoRh crystallizes in the trigonal R3m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to three equivalent Mo(1) and one Rh(1) atom. All Sr(1)-Mo(1) bond lengths are 3.01 Å. The Sr(1)-Rh(1) bond length is 2.04 Å. In the second Sr site, Sr(2) is bonded to one Mo(1) and three equivalent Rh(1) atoms to form distorted SrMoRh3 trigonal pyramids that share  a cornercorner with one Rh(1)Sr4Mo trigonal bipyramid, corners with three equivalent Mo(1)Sr4Rh trigonal bipyramids, and corners with six equivalent Sr(2)MoRh3 trigonal pyramids. The Sr(2)-Mo(1) bond length is 2.04 Å. All Sr(2)-Rh(1) bond lengths are 3.01 Å. Mo(1) is bonded to one Sr(2), three equivalent Sr(1), and one Rh(1) atom to form distorted MoSr4Rh trigonal bipyramids that share corners with six equivalent Mo(1)Sr4Rh trigonal bipyramids, corners with three equivalent Sr(2)MoRh3 trigonal pyramids, and edges with three equivalent Rh(1)Sr4Mo trigonal bipyramids. The Mo(1)-Rh(1) bond length is 2.04 Å. Rh(1) is bonded to one Sr(1), three equivalent Sr(2), and one Mo(1) atom to form distorted RhSr4Mo trigonal bipyramids that share corners with six equivalent Rh(1)Sr4Mo trigonal bipyramids,  a cornercorner with one Sr(2)MoRh3 trigonal pyramid, and edges with three equivalent Mo(1)Sr4Rh trigonal bipyramids.