data_BaSbPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSbPt2
_chemical_formula_sum   'Ba1 Sb1 Pt2'
_cell_volume   95.03
_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  0.81  0.81  0.81  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.43  0.43  0.43  1.0
  Pt  Pt2  1  0.62  0.62  0.62  1.0

data_BaSbPt2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   12.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaSbPt2
_chemical_formula_sum   'Ba3 Sb3 Pt6'
_cell_volume   285.09
_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  0.19  1.0
  Sb  Sb1  3  0.0  0.0  1.0  1.0
  Pt  Pt2  3  0.0  0.0  0.38  1.0
  Pt  Pt3  3  0.0  0.0  0.57  1.0

Ba Sb Pt Pt
Ba Sb Pt Pt 0 3 o o o 0 1 + + + 0 2 + o o 0 2 o + o 0 2 o o + 1 3 - - o 1 3 - o - 1 3 o - - 1 2 - o o 1 2 o - o 1 2 o o - 2 3 o o o 
BaPt2Sb crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 5-coordinate geometry to one Pt(2), three equivalent Pt(1), and one Sb(1) atom. The Ba(1)-Pt(2) bond length is 2.37 Å. All Ba(1)-Pt(1) bond lengths are 3.01 Å. The Ba(1)-Sb(1) bond length is 2.37 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1), one Pt(2), and three equivalent Sb(1) atoms. The Pt(1)-Pt(2) bond length is 2.37 Å. All Pt(1)-Sb(1) bond lengths are 3.21 Å. In the second Pt site, Pt(2) is bonded in a single-bond geometry to one Ba(1) and one Pt(1) atom. Sb(1) is bonded in a distorted single-bond geometry to one Ba(1) and three equivalent Pt(1) atoms.