data_RePt3Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePt3Pb
_chemical_formula_sum   'Re1 Pt3 Pb1'
_cell_volume   125.2
_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
  Re  Re1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.5  0.0  0.5  1.0
  Pt  Pt3  1  0.5  0.5  0.0  1.0
  Pt  Pt4  1  0.0  0.5  0.5  1.0
  Pb  Pb0  1  0.5  0.5  0.5  1.0

data_RePt3Pb
_symmetry_space_group_name_H-M   Pm-3m
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   221
_chemical_formula_structural   RePt3Pb
_chemical_formula_sum   'Re1 Pt3 Pb1'
_cell_volume   125.2
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-y, x, z'
  4  'y, -x, -z'
  5  '-x, -y, z'
  6  'x, y, -z'
  7  'y, -x, z'
  8  '-y, x, -z'
  9  'x, -y, -z'
  10  '-x, y, z'
  11  '-y, -x, -z'
  12  'y, x, z'
  13  '-x, y, -z'
  14  'x, -y, z'
  15  'y, x, -z'
  16  '-y, -x, z'
  17  'z, x, y'
  18  '-z, -x, -y'
  19  'z, -y, x'
  20  '-z, y, -x'
  21  'z, -x, -y'
  22  '-z, x, y'
  23  'z, y, -x'
  24  '-z, -y, x'
  25  '-z, x, -y'
  26  'z, -x, y'
  27  '-z, -y, -x'
  28  'z, y, x'
  29  '-z, -x, y'
  30  'z, x, -y'
  31  '-z, y, x'
  32  'z, -y, -x'
  33  'y, z, x'
  34  '-y, -z, -x'
  35  'x, z, -y'
  36  '-x, -z, y'
  37  '-y, z, -x'
  38  'y, -z, x'
  39  '-x, z, y'
  40  'x, -z, -y'
  41  '-y, -z, x'
  42  'y, z, -x'
  43  '-x, -z, -y'
  44  'x, z, y'
  45  'y, -z, -x'
  46  '-y, z, x'
  47  'x, -z, y'
  48  '-x, z, -y'
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
  Re  Re0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  3  0.0  0.5  0.5  1.0
  Pb  Pb2  1  0.5  0.5  0.5  1.0

Re Pt Pt Pt Pb
RePt3Pb is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. Re(1) is bonded to twelve equivalent Pt(1) atoms to form RePt12 cuboctahedra that share corners with twelve equivalent Re(1)Pt12 cuboctahedra, faces with six equivalent Re(1)Pt12 cuboctahedra, and faces with eight equivalent Pb(1)Pt6 octahedra. There are a spread of Re(1)-Pt(1) bond distances ranging from 3.53-3.55 Å. Pt(1) is bonded in a distorted linear geometry to four equivalent Re(1) and two equivalent Pb(1) atoms. There is one shorter (2.49 Å) and one longer (2.51 Å) Pt(1)-Pb(1) bond length. Pb(1) is bonded to six equivalent Pt(1) atoms to form PbPt6 octahedra that share corners with six equivalent Pb(1)Pt6 octahedra and faces with eight equivalent Re(1)Pt12 cuboctahedra. The corner-sharing octahedra are not tilted.