data_ScCoPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   4.47
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCoPt2
_chemical_formula_sum   'Sc1 Co1 Pt2'
_cell_volume   63.06
_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  Sc3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.16  0.16  0.16  1.0
  Pt  Pt1  1  0.58  0.58  0.58  1.0
  Pt  Pt2  1  0.74  0.74  0.74  1.0

data_ScCoPt2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   10.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScCoPt2
_chemical_formula_sum   'Sc3 Co3 Pt6'
_cell_volume   189.19
_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  0.0  1.0
  Co  Co1  3  0.0  0.0  0.84  1.0
  Pt  Pt2  3  0.0  0.0  0.26  1.0
  Pt  Pt3  3  0.0  0.0  0.42  1.0

Sc Co Pt Pt
ScCoPt2 crystallizes in the trigonal R3m space group. Sc(1) is bonded in a distorted single-bond geometry to one Co(1), three equivalent Pt(1), and four equivalent Pt(2) atoms. The Sc(1)-Co(1) bond length is 1.74 Å. All Sc(1)-Pt(1) bond lengths are 2.75 Å. There are three shorter (2.70 Å) and one longer (2.86 Å) Sc(1)-Pt(2) bond length. Co(1) is bonded in a distorted single-bond geometry to one Sc(1), three equivalent Pt(1), and three equivalent Pt(2) atoms. All Co(1)-Pt(1) bond lengths are 2.75 Å. All Co(1)-Pt(2) bond lengths are 2.75 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 7-coordinate geometry to three equivalent Sc(1), three equivalent Co(1), and one Pt(2) atom. The Pt(1)-Pt(2) bond length is 1.74 Å. In the second Pt site, Pt(2) is bonded in a 8-coordinate geometry to four equivalent Sc(1), three equivalent Co(1), and one Pt(1) atom.