data_LiMg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMg2Rh
_chemical_formula_sum   'Li1 Mg2 Rh1'
_cell_volume   64.82
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.19  0.19  0.19  1.0
  Mg  Mg2  1  0.78  0.78  0.78  1.0
  Rh  Rh3  1  0.59  0.59  0.59  1.0

data_LiMg2Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   11.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LiMg2Rh
_chemical_formula_sum   'Li3 Mg6 Rh3'
_cell_volume   194.47
_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
  Li  Li0  3  0.0  0.0  0.0  1.0
  Mg  Mg1  3  0.0  0.0  0.22  1.0
  Mg  Mg2  3  0.0  0.0  0.81  1.0
  Rh  Rh3  3  0.0  0.0  0.41  1.0

Li Mg Mg Rh
LiMg2Rh crystallizes in the trigonal R3m space group. Li(1) is bonded in a 5-coordinate geometry to one Mg(1), one Mg(2), and three equivalent Rh(1) atoms. The Li(1)-Mg(1) bond length is 2.08 Å. The Li(1)-Mg(2) bond length is 2.40 Å. All Li(1)-Rh(1) bond lengths are 2.72 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Li(1) and three equivalent Rh(1) atoms to form distorted corner-sharing MgLiRh3 tetrahedra. All Mg(1)-Rh(1) bond lengths are 2.72 Å. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to one Li(1) and one Rh(1) atom. The Mg(2)-Rh(1) bond length is 2.08 Å. Rh(1) is bonded in a 1-coordinate geometry to three equivalent Li(1), one Mg(2), and three equivalent Mg(1) atoms.