data_MgSn4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSn4Rh
_chemical_formula_sum   'Mg1 Sn4 Rh1'
_cell_volume   155.52
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.21  0.21  0.33  1.0
  Sn  Sn3  1  0.21  0.33  0.21  1.0
  Sn  Sn4  1  0.33  0.21  0.21  1.0
  Sn  Sn5  1  0.33  0.33  0.33  1.0
  Rh  Rh1  1  0.13  0.13  0.13  1.0

data_MgSn4Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   14.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MgSn4Rh
_chemical_formula_sum   'Mg3 Sn12 Rh3'
_cell_volume   466.55
_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
  Mg  Mg0  3  0.0  0.0  0.0  1.0
  Sn  Sn1  9  0.04  0.08  0.75  1.0
  Sn  Sn2  3  0.0  0.0  0.67  1.0
  Rh  Rh3  3  0.0  0.0  0.87  1.0

Mg Sn Sn Sn Sn Rh
Mg Sn Sn Sn Sn Rh 0 5 o o o 1 3 o o o 1 2 o o o 1 4 o o o 1 5 o o o 2 3 o o o 2 4 o o o 2 5 o o o 3 4 o o o 3 5 o o o 
MgRhSn4 crystallizes in the trigonal R3m space group. Mg(1) is bonded in a distorted single-bond geometry to one Rh(1) and three equivalent Sn(1) atoms. The Mg(1)-Rh(1) bond length is 1.98 Å. All Mg(1)-Sn(1) bond lengths are 3.30 Å. Rh(1) is bonded in a distorted single-bond geometry to one Mg(1) and three equivalent Sn(1) atoms. All Rh(1)-Sn(1) bond lengths are 1.73 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 5-coordinate geometry to one Mg(1), one Rh(1), one Sn(2), and two equivalent Sn(1) atoms. The Sn(1)-Sn(2) bond length is 1.31 Å. Both Sn(1)-Sn(1) bond lengths are 0.75 Å. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to three equivalent Sn(1) atoms.