data_NaScHgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaScHgPt
_chemical_formula_sum   'Na1 Sc1 Hg1 Pt1'
_cell_volume   77.64
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Sc  Sc3  1  0.08  0.08  0.08  1.0
  Hg  Hg0  1  0.69  0.69  0.69  1.0
  Pt  Pt2  1  0.39  0.39  0.39  1.0

data_NaScHgPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   11.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   NaScHgPt
_chemical_formula_sum   'Na3 Sc3 Hg3 Pt3'
_cell_volume   232.92
_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
  Na  Na0  3  0.0  0.0  0.0  1.0
  Sc  Sc1  3  0.0  0.0  0.92  1.0
  Hg  Hg2  3  0.0  0.0  0.31  1.0
  Pt  Pt3  3  0.0  0.0  0.61  1.0

Na Sc Hg Pt
Na Sc Hg Pt 0 1 o o o 0 2 o - - 0 2 - o - 0 2 - - o 0 3 o o - 0 3 o - o 0 3 - o o 1 2 o - - 1 2 - o - 1 2 - - o 1 3 o o - 1 3 o - o 1 3 - o o 2 3 o o + 2 3 o + o 2 3 + o o 
NaScPtHg crystallizes in the trigonal R3m space group. Na(1) is bonded in a single-bond geometry to one Sc(1), three equivalent Pt(1), and four equivalent Hg(1) atoms. The Na(1)-Sc(1) bond length is 0.93 Å. All Na(1)-Pt(1) bond lengths are 2.83 Å. There are three shorter (2.78 Å) and one longer (3.60 Å) Na(1)-Hg(1) bond length. Sc(1) is bonded in a single-bond geometry to one Na(1), four equivalent Pt(1), and three equivalent Hg(1) atoms. There are three shorter (2.78 Å) and one longer (3.60 Å) Sc(1)-Pt(1) bond length. All Sc(1)-Hg(1) bond lengths are 2.83 Å. Pt(1) is bonded in a distorted q6 geometry to three equivalent Na(1), four equivalent Sc(1), and three equivalent Hg(1) atoms. All Pt(1)-Hg(1) bond lengths are 2.78 Å. Hg(1) is bonded in a 10-coordinate geometry to four equivalent Na(1), three equivalent Sc(1), and three equivalent Pt(1) atoms.