data_CsRuPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CsRuPt3
_chemical_formula_sum   'Cs1 Ru1 Pt3'
_cell_volume   122.84
_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
  Cs  Cs0  1  0.49  0.49  0.49  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.49  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.49  1.0
  Pt  Pt4  1  0.49  0.0  0.0  1.0

data_CsRuPt3
_symmetry_space_group_name_H-M   R3m
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   CsRuPt3
_chemical_formula_sum   'Cs3 Ru3 Pt9'
_cell_volume   368.51
_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
  Cs  Cs0  3  0.0  0.0  0.49  1.0
  Ru  Ru1  3  0.0  0.0  0.0  1.0
  Pt  Pt2  9  0.17  0.34  0.83  1.0

Cs Ru Pt Pt Pt
Cs Ru Pt Pt Pt 0 1 o o o 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o o o 0 2 o o + 0 2 + o o 0 2 + o + 0 4 o o o 0 4 o o + 0 4 o + o 0 4 o + + 1 4 - o o 1 4 o o o 1 2 o - o 1 2 o o o 1 3 o o - 1 3 o o o 
CsRuPt3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Cs(1) is bonded to twelve equivalent Pt(1) atoms to form CsPt12 cuboctahedra that share corners with twelve equivalent Cs(1)Pt12 cuboctahedra, faces with six equivalent Cs(1)Pt12 cuboctahedra, and faces with eight equivalent Ru(1)Pt6 octahedra. There are a spread of Cs(1)-Pt(1) bond distances ranging from 3.41-3.62 Å. Ru(1) is bonded to six equivalent Pt(1) atoms to form RuPt6 octahedra that share corners with six equivalent Ru(1)Pt6 octahedra and faces with eight equivalent Cs(1)Pt12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three shorter (2.41 Å) and three longer (2.56 Å) Ru(1)-Pt(1) bond lengths. Pt(1) is bonded to four equivalent Cs(1) and two equivalent Ru(1) atoms to form a mixture of corner, edge, and face-sharing PtCs4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°.