data_Na4YRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na4YRh
_chemical_formula_sum   'Na4 Y1 Rh1'
_cell_volume   143.57
_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
  Na  Na0  1  0.17  0.17  0.14  1.0
  Na  Na1  1  0.17  0.14  0.17  1.0
  Na  Na2  1  0.14  0.17  0.17  1.0
  Na  Na3  1  0.14  0.14  0.14  1.0
  Y  Y5  1  0.0  0.0  0.0  1.0
  Rh  Rh4  1  0.23  0.23  0.23  1.0

data_Na4YRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   14.4
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Na4YRh
_chemical_formula_sum   'Na12 Y3 Rh3'
_cell_volume   430.71
_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
  Na  Na0  9  0.02  0.01  0.84  1.0
  Na  Na1  3  0.0  0.0  0.86  1.0
  Y  Y2  3  0.0  0.0  0.0  1.0
  Rh  Rh3  3  0.0  0.0  0.77  1.0

Na Na Na Na Y Rh
Na4YRh crystallizes in the trigonal R3m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 2-coordinate geometry to one Na(2), two equivalent Na(1), and one Rh(1) atom. The Na(1)-Na(2) bond length is 0.34 Å. Both Na(1)-Na(1) bond lengths are 0.20 Å. The Na(1)-Rh(1) bond length is 1.05 Å. In the second Na site, Na(2) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one Y(1) atom. The Na(2)-Y(1) bond length is 2.00 Å. Y(1) is bonded to one Na(2) and three equivalent Rh(1) atoms to form corner-sharing YNaRh3 tetrahedra. All Y(1)-Rh(1) bond lengths are 3.68 Å. Rh(1) is bonded in a 6-coordinate geometry to three equivalent Na(1) and three equivalent Y(1) atoms.