data_RePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   10.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePt
_chemical_formula_sum   'Re6 Pt6'
_cell_volume   186.55
_cell_formula_units_Z   6
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  Re6  1  0.0  0.0  0.3  1.0
  Re  Re7  1  0.0  0.0  0.64  1.0
  Re  Re8  1  0.0  0.56  0.46  1.0
  Re  Re9  1  0.0  0.56  0.85  1.0
  Re  Re10  1  0.22  0.28  0.1  1.0
  Re  Re11  1  0.22  0.28  0.48  1.0
  Pt  Pt0  1  0.0  0.0  0.07  1.0
  Pt  Pt1  1  0.0  0.0  0.87  1.0
  Pt  Pt2  1  0.0  0.56  0.24  1.0
  Pt  Pt3  1  0.0  0.56  0.1  1.0
  Pt  Pt4  1  0.22  0.28  0.84  1.0
  Pt  Pt5  1  0.22  0.28  0.7  1.0

data_RePt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   10.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RePt
_chemical_formula_sum   'Re6 Pt6'
_cell_volume   186.55
_cell_formula_units_Z   6
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  Re0  1  0.0  0.0  0.3  1.0
  Re  Re1  1  0.0  0.0  0.64  1.0
  Re  Re2  1  0.0  0.56  0.46  1.0
  Re  Re3  1  0.0  0.56  0.85  1.0
  Re  Re4  1  0.22  0.28  0.1  1.0
  Re  Re5  1  0.22  0.28  0.48  1.0
  Pt  Pt6  1  0.0  0.0  0.07  1.0
  Pt  Pt7  1  0.0  0.0  0.87  1.0
  Pt  Pt8  1  0.0  0.56  0.1  1.0
  Pt  Pt9  1  0.0  0.56  0.24  1.0
  Pt  Pt10  1  0.22  0.28  0.7  1.0
  Pt  Pt11  1  0.22  0.28  0.84  1.0

Re Re Re Re Re Re Pt Pt Pt Pt Pt Pt
Re Re Re Re Re Re Pt Pt Pt Pt Pt Pt 0 8 o o o 0 8 o - o 0 2 o - o 0 6 o o o 0 4 o o o 0 5 o o o 1 11 o o o 1 5 o o o 2 5 o o o 3 7 o + o 3 10 o o o 4 6 o o o 7 10 o o o 8 9 o o o 10 11 o o o 
PtRe crystallizes in the triclinic P1 space group. There are six inequivalent Re sites. In the first Re site, Re(1) is bonded in a 1-coordinate geometry to one Re(6) and two equivalent Pt(3) atoms. The Re(1)-Re(6) bond length is 2.23 Å. There is one shorter (2.07 Å) and one longer (2.60 Å) Re(1)-Pt(3) bond length. In the second Re site, Re(2) is bonded in a single-bond geometry to one Re(6) and one Pt(6) atom. The Re(2)-Re(6) bond length is 2.06 Å. The Re(2)-Pt(6) bond length is 1.34 Å. In the third Re site, Re(3) is bonded in a 2-coordinate geometry to one Re(6) and one Pt(3) atom. The Re(3)-Re(6) bond length is 1.93 Å. The Re(3)-Pt(3) bond length is 2.44 Å. In the fourth Re site, Re(4) is bonded in a distorted bent 150 degrees geometry to one Pt(2), one Pt(4), and one Pt(5) atom. The Re(4)-Pt(2) bond length is 1.97 Å. The Re(4)-Pt(4) bond length is 2.77 Å. The Re(4)-Pt(5) bond length is 1.92 Å. In the fifth Re site, Re(5) is bonded in a 1-coordinate geometry to one Pt(1) and two equivalent Pt(4) atoms. The Re(5)-Pt(1) bond length is 1.17 Å. There is one shorter (1.92 Å) and one longer (3.04 Å) Re(5)-Pt(4) bond length. In the sixth Re site, Re(6) is bonded in a 4-coordinate geometry to one Re(1), one Re(2), one Re(3), and one Pt(6) atom. The Re(6)-Pt(6) bond length is 2.44 Å. There are six inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a single-bond geometry to one Re(5) and one Pt(4) atom. The Pt(1)-Pt(4) bond length is 1.97 Å. In the second Pt site, Pt(2) is bonded in a distorted bent 120 degrees geometry to one Re(4) and one Pt(5) atom. The Pt(2)-Pt(5) bond length is 1.18 Å. In the third Pt site, Pt(3) is bonded in a 4-coordinate geometry to one Re(3), two equivalent Re(1), and one Pt(4) atom. The Pt(3)-Pt(4) bond length is 1.53 Å. In the fourth Pt site, Pt(4) is bonded in a 5-coordinate geometry to one Re(4), two equivalent Re(5), one Pt(1), and one Pt(3) atom. In the fifth Pt site, Pt(5) is bonded in a 3-coordinate geometry to one Re(4), one Pt(2), and one Pt(6) atom. The Pt(5)-Pt(6) bond length is 1.53 Å. In the sixth Pt site, Pt(6) is bonded in a distorted single-bond geometry to one Re(2), one Re(6), and one Pt(5) atom.