data_BaGaHgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaGaHgPt
_chemical_formula_sum   'Ba1 Ga1 Hg1 Pt1'
_cell_volume   98.58
_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
  Ba  Ba0  1  0.83  0.83  0.83  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.67  0.67  0.67  1.0
  Pt  Pt3  1  0.5  0.5  0.5  1.0

data_BaGaHgPt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   12.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaGaHgPt
_chemical_formula_sum   'Ba3 Ga3 Hg3 Pt3'
_cell_volume   295.75
_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
  Ba  Ba0  3  0.0  0.0  0.17  1.0
  Ga  Ga1  3  0.0  0.0  0.0  1.0
  Hg  Hg2  3  0.0  0.0  0.33  1.0
  Pt  Pt3  3  0.0  0.0  0.5  1.0

Ba Ga Hg Pt
Ba Ga Hg Pt 0 2 o o o 0 1 + + + 2 3 o o o 
BaPtHgGa crystallizes in the trigonal R3m space group. Ba(1) is bonded to three equivalent Pt(1), one Hg(1), and one Ga(1) atom to form distorted BaGaHgPt3 trigonal bipyramids that share corners with six equivalent Ba(1)GaHgPt3 trigonal bipyramids and  a cornercorner with one Pt(1)Ba3Hg trigonal pyramid. All Ba(1)-Pt(1) bond lengths are 2.99 Å. The Ba(1)-Hg(1) bond length is 2.12 Å. The Ba(1)-Ga(1) bond length is 2.12 Å. Pt(1) is bonded to three equivalent Ba(1) and one Hg(1) atom to form PtBa3Hg trigonal pyramids that share  a cornercorner with one Ba(1)GaHgPt3 trigonal bipyramid and corners with six equivalent Pt(1)Ba3Hg trigonal pyramids. The Pt(1)-Hg(1) bond length is 2.12 Å. Hg(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Pt(1) atom. Ga(1) is bonded in a distorted single-bond geometry to one Ba(1) atom.