data_MnFeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   3.94
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeRh
_chemical_formula_sum   'Mn1 Fe1 Rh1'
_cell_volume   43.11
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.78  0.78  0.78  1.0
  Rh  Rh2  1  0.39  0.39  0.39  1.0

data_MnFeRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   9.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MnFeRh
_chemical_formula_sum   'Mn3 Fe3 Rh3'
_cell_volume   129.32
_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
  Mn  Mn0  3  0.0  0.0  0.0  1.0
  Fe  Fe1  3  0.0  0.0  0.22  1.0
  Rh  Rh2  3  0.0  0.0  0.61  1.0

Mn Fe Rh
Mn Fe Rh 0 1 - - - 0 1 - - o 0 1 o - - 0 1 - o - 0 2 - o o 0 2 o - o 0 2 o o - 1 2 o o + 1 2 o + o 1 2 + o o 
MnFeRh crystallizes in the trigonal R3m space group. Mn(1) is bonded in a 7-coordinate geometry to four equivalent Fe(1) and three equivalent Rh(1) atoms. There is one shorter (2.09 Å) and three longer (2.53 Å) Mn(1)-Fe(1) bond lengths. All Mn(1)-Rh(1) bond lengths are 2.34 Å. Fe(1) is bonded in a 7-coordinate geometry to four equivalent Mn(1) and three equivalent Rh(1) atoms. All Fe(1)-Rh(1) bond lengths are 2.34 Å. Rh(1) is bonded in a distorted hexagonal planar geometry to three equivalent Mn(1) and three equivalent Fe(1) atoms.