data_PmMg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   4.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmMg2Rh
_chemical_formula_sum   'Pm1 Mg2 Rh1'
_cell_volume   81.51
_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
  Pm  Pm2  1  0.44  0.44  0.44  1.0
  Mg  Mg0  1  0.72  0.72  0.72  1.0
  Mg  Mg1  1  0.16  0.16  0.16  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_PmMg2Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   11.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   PmMg2Rh
_chemical_formula_sum   'Pm3 Mg6 Rh3'
_cell_volume   244.53
_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
  Pm  Pm0  3  0.0  0.0  0.56  1.0
  Mg  Mg1  3  0.0  0.0  0.28  1.0
  Mg  Mg2  3  0.0  0.0  0.84  1.0
  Rh  Rh3  3  0.0  0.0  -0.0  1.0

Pm Mg Mg Rh
Mg2PmRh is Heusler structured and crystallizes in the trigonal R3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to four equivalent Pm(1) and four equivalent Rh(1) atoms. There are three shorter (2.88 Å) and one longer (3.33 Å) Mg(1)-Pm(1) bond length. There are three shorter (2.88 Å) and one longer (3.33 Å) Mg(1)-Rh(1) bond length. In the second Mg site, Mg(2) is bonded in a single-bond geometry to four equivalent Pm(1) and one Rh(1) atom. There are three shorter (2.88 Å) and one longer (3.33 Å) Mg(2)-Pm(1) bond length. The Mg(2)-Rh(1) bond length is 1.93 Å. Pm(1) is bonded in a 11-coordinate geometry to four equivalent Mg(1), four equivalent Mg(2), and three equivalent Rh(1) atoms. All Pm(1)-Rh(1) bond lengths are 3.09 Å. Rh(1) is bonded in a distorted single-bond geometry to one Mg(2), four equivalent Mg(1), and three equivalent Pm(1) atoms.