data_ScCr2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCr2Pt
_chemical_formula_sum   'Sc1 Cr2 Pt1'
_cell_volume   66.96
_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
  Cr  Cr0  1  0.83  0.83  0.83  1.0
  Cr  Cr1  1  0.22  0.22  0.22  1.0
  Pt  Pt2  1  0.61  0.61  0.61  1.0

data_ScCr2Pt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   11.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ScCr2Pt
_chemical_formula_sum   'Sc3 Cr6 Pt3'
_cell_volume   200.88
_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
  Cr  Cr1  3  0.0  0.0  0.17  1.0
  Cr  Cr2  3  0.0  0.0  0.78  1.0
  Pt  Pt3  3  0.0  0.0  0.39  1.0

Sc Cr Cr Pt
Sc Cr Cr Pt 0 1 - - - 0 2 o o o 0 2 o o - 0 2 - o o 0 2 o - o 0 3 o - - 0 3 - o - 0 3 - - o 1 2 + + o 1 2 + o + 1 2 o + + 1 3 o + o 1 3 + o o 1 3 o o + 1 3 o o o 2 3 - o o 2 3 o - o 2 3 o o - 
ScCr2Pt crystallizes in the trigonal R3m space group. Sc(1) is bonded in a 1-coordinate geometry to one Cr(1), one Cr(2), and three equivalent Pt(1) atoms. The Sc(1)-Cr(1) bond length is 1.85 Å. The Sc(1)-Cr(2) bond length is 2.49 Å. All Sc(1)-Pt(1) bond lengths are 2.70 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a distorted linear geometry to one Sc(1) and four equivalent Pt(1) atoms. There is one shorter (2.49 Å) and three longer (2.91 Å) Cr(1)-Pt(1) bond lengths. In the second Cr site, Cr(2) is bonded in a 4-coordinate geometry to one Sc(1) and three equivalent Pt(1) atoms. All Cr(2)-Pt(1) bond lengths are 2.70 Å. Pt(1) is bonded in a 10-coordinate geometry to three equivalent Sc(1), three equivalent Cr(2), and four equivalent Cr(1) atoms.