data_ZrScIrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrScIrRh
_chemical_formula_sum   'Zr1 Sc1 Ir1 Rh1'
_cell_volume   68.67
_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  Zr3  1  0.88  0.88  0.88  1.0
  Sc  Sc2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.25  0.25  0.25  1.0
  Rh  Rh1  1  0.63  0.63  0.63  1.0

data_ZrScIrRh
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   11.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ZrScIrRh
_chemical_formula_sum   'Zr3 Sc3 Ir3 Rh3'
_cell_volume   206.02
_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  0.12  1.0
  Sc  Sc1  3  0.0  0.0  -0.0  1.0
  Ir  Ir2  3  0.0  0.0  0.75  1.0
  Rh  Rh3  3  0.0  0.0  0.37  1.0

Zr Sc Ir Rh
Zr Sc Ir Rh 0 1 + + + 0 2 + + o 0 2 + o + 0 2 o + + 0 3 + o o 0 3 o + o 0 3 o o + 0 3 o o o 1 2 o o o 1 2 o o - 1 2 o - o 1 2 - o o 1 3 o - - 1 3 - o - 1 3 - - o 2 3 - o o 2 3 o - o 2 3 o o - 
ScZrIrRh crystallizes in the trigonal R3m space group. Sc(1) is bonded in a 1-coordinate geometry to one Zr(1), four equivalent Ir(1), and three equivalent Rh(1) atoms. The Sc(1)-Zr(1) bond length is 1.40 Å. There are three shorter (2.81 Å) and one longer (2.82 Å) Sc(1)-Ir(1) bond length. All Sc(1)-Rh(1) bond lengths are 2.69 Å. Zr(1) is bonded in a 1-coordinate geometry to one Sc(1), three equivalent Ir(1), and four equivalent Rh(1) atoms. All Zr(1)-Ir(1) bond lengths are 2.69 Å. There are three shorter (2.81 Å) and one longer (2.82 Å) Zr(1)-Rh(1) bond length. Ir(1) is bonded in a 10-coordinate geometry to four equivalent Sc(1), three equivalent Zr(1), and three equivalent Rh(1) atoms. All Ir(1)-Rh(1) bond lengths are 2.69 Å. Rh(1) is bonded in a 10-coordinate geometry to three equivalent Sc(1), four equivalent Zr(1), and three equivalent Ir(1) atoms.