data_ScTcPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTcPt2
_chemical_formula_sum   'Sc1 Tc1 Pt2'
_cell_volume   64.95
_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  Sc2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.79  0.79  0.79  1.0
  Pt  Pt0  1  0.19  0.19  0.19  1.0
  Pt  Pt1  1  0.6  0.6  0.6  1.0

data_ScTcPt2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   11.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScTcPt2
_chemical_formula_sum   'Sc3 Tc3 Pt6'
_cell_volume   194.86
_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
  Sc  Sc0  3  0.0  0.0  0.0  1.0
  Tc  Tc1  3  0.0  0.0  0.21  1.0
  Pt  Pt2  3  0.0  0.0  0.4  1.0
  Pt  Pt3  3  0.0  0.0  0.81  1.0

Sc Tc Pt Pt
ScTcPt2 crystallizes in the trigonal R3m space group. Sc(1) is bonded in a 11-coordinate geometry to four equivalent Tc(1), three equivalent Pt(2), and four equivalent Pt(1) atoms. There is one shorter (2.37 Å) and three longer (2.92 Å) Sc(1)-Tc(1) bond lengths. All Sc(1)-Pt(2) bond lengths are 2.72 Å. There is one shorter (2.11 Å) and three longer (3.05 Å) Sc(1)-Pt(1) bond lengths. Tc(1) is bonded in a 2-coordinate geometry to four equivalent Sc(1) and one Pt(2) atom. The Tc(1)-Pt(2) bond length is 2.11 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted single-bond geometry to four equivalent Sc(1) atoms. In the second Pt site, Pt(2) is bonded in a 4-coordinate geometry to three equivalent Sc(1) and one Tc(1) atom.