data_ScCdPRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdPRu
_chemical_formula_sum   'Sc1 Cd1 P1 Ru1'
_cell_volume   66.52
_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
  Sc  Sc0  1  0.61  0.61  0.61  1.0
  Cd  Cd2  1  0.22  0.22  0.22  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Ru  Ru1  1  0.82  0.82  0.82  1.0

data_ScCdPRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   11.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScCdPRu
_chemical_formula_sum   'Sc3 Cd3 P3 Ru3'
_cell_volume   199.56
_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
  Sc  Sc0  3  0.0  0.0  0.39  1.0
  Cd  Cd1  3  0.0  0.0  0.78  1.0
  P  P2  3  0.0  0.0  0.0  1.0
  Ru  Ru3  3  0.0  0.0  0.18  1.0

Sc Cd P Ru
Sc Cd P Ru 0 3 o - o 0 3 - o o 0 3 o o - 0 3 o o o 0 1 o o + 0 1 o + o 0 1 + o o 0 2 o + + 0 2 + o + 0 2 + + 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 - - - 
ScRuCdP crystallizes in the trigonal R3m space group. Sc(1) is bonded in a 10-coordinate geometry to four equivalent Ru(1), three equivalent Cd(1), and three equivalent P(1) atoms. There is one shorter (2.41 Å) and three longer (2.93 Å) Sc(1)-Ru(1) bond lengths. All Sc(1)-Cd(1) bond lengths are 2.71 Å. All Sc(1)-P(1) bond lengths are 2.71 Å. Ru(1) is bonded in a 8-coordinate geometry to four equivalent Sc(1), three equivalent Cd(1), and one P(1) atom. All Ru(1)-Cd(1) bond lengths are 2.71 Å. The Ru(1)-P(1) bond length is 1.96 Å. Cd(1) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Ru(1), and four equivalent P(1) atoms. There is one shorter (2.41 Å) and three longer (2.93 Å) Cd(1)-P(1) bond lengths. P(1) is bonded in a 5-coordinate geometry to three equivalent Sc(1), one Ru(1), and four equivalent Cd(1) atoms.