data_RbSbPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RbSbPt2
_chemical_formula_sum   'Rb1 Sb1 Pt2'
_cell_volume   88.69
_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
  Rb  Rb2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.54  0.54  0.54  1.0
  Pt  Pt0  1  0.31  0.31  0.31  1.0
  Pt  Pt1  1  0.77  0.77  0.77  1.0

data_RbSbPt2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   12.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   RbSbPt2
_chemical_formula_sum   'Rb3 Sb3 Pt6'
_cell_volume   266.07
_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
  Rb  Rb0  3  0.0  0.0  0.0  1.0
  Sb  Sb1  3  0.0  0.0  0.46  1.0
  Pt  Pt2  3  0.0  0.0  0.23  1.0
  Pt  Pt3  3  0.0  0.0  0.69  1.0

Rb Sb Pt Pt
Rb Sb Pt Pt 0 3 - - - 0 3 - - o 0 3 o - - 0 3 - o - 0 1 - - o 0 1 - o - 0 1 o - - 0 2 - o o 0 2 o - o 0 2 o o - 1 2 o o o 1 2 o o + 1 2 + o o 1 2 o + 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 - 
RbPt2Sb is Heusler structured and crystallizes in the trigonal R3m space group. Rb(1) is bonded in a 7-coordinate geometry to three equivalent Pt(1), four equivalent Pt(2), and three equivalent Sb(1) atoms. All Rb(1)-Pt(1) bond lengths are 2.90 Å. There is one shorter (2.82 Å) and three longer (3.15 Å) Rb(1)-Pt(2) bond lengths. All Rb(1)-Sb(1) bond lengths are 3.28 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 4-coordinate geometry to three equivalent Rb(1) and four equivalent Sb(1) atoms. There is one shorter (2.82 Å) and three longer (3.15 Å) Pt(1)-Sb(1) bond lengths. In the second Pt site, Pt(2) is bonded in a 8-coordinate geometry to four equivalent Rb(1) and four equivalent Sb(1) atoms. There is one shorter (2.82 Å) and three longer (3.15 Å) Pt(2)-Sb(1) bond lengths. Sb(1) is bonded in a 11-coordinate geometry to three equivalent Rb(1), four equivalent Pt(1), and four equivalent Pt(2) atoms.