data_ZrV4Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV4Rh
_chemical_formula_sum   'Zr1 V4 Rh1'
_cell_volume   90.62
_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
  Zr  Zr5  1  0.0  0.0  0.0  1.0
  V  V1  1  0.67  0.67  0.46  1.0
  V  V2  1  0.67  0.46  0.67  1.0
  V  V3  1  0.46  0.67  0.67  1.0
  V  V4  1  0.46  0.46  0.46  1.0
  Rh  Rh0  1  0.78  0.78  0.78  1.0

data_ZrV4Rh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   12.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrV4Rh
_chemical_formula_sum   'Zr3 V12 Rh3'
_cell_volume   271.86
_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
  Zr  Zr0  3  0.0  0.0  0.0  1.0
  V  V1  9  0.14  0.07  0.4  1.0
  V  V2  3  0.0  0.0  0.54  1.0
  Rh  Rh3  3  0.0  0.0  0.22  1.0

Zr V V V V Rh
ZrV4Rh crystallizes in the trigonal R3m space group. Zr(1) is bonded in a 4-coordinate geometry to three equivalent V(1), three equivalent V(2), and four equivalent Rh(1) atoms. All Zr(1)-V(1) bond lengths are 2.43 Å. All Zr(1)-V(2) bond lengths are 3.29 Å. There is one shorter (2.69 Å) and three longer (3.24 Å) Zr(1)-Rh(1) bond lengths. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one Zr(1), one V(2), two equivalent V(1), and two equivalent Rh(1) atoms. The V(1)-V(2) bond length is 1.87 Å. Both V(1)-V(1) bond lengths are 1.08 Å. There is one shorter (2.33 Å) and one longer (2.96 Å) V(1)-Rh(1) bond length. In the second V site, V(2) is bonded in a 9-coordinate geometry to three equivalent Zr(1), three equivalent V(1), and three equivalent Rh(1) atoms. All V(2)-Rh(1) bond lengths are 2.91 Å. Rh(1) is bonded in a 13-coordinate geometry to four equivalent Zr(1), three equivalent V(2), and six equivalent V(1) atoms.