data_Re5Mo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.81
_cell_length_b   7.81
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re5Mo4
_chemical_formula_sum   'Re10 Mo8'
_cell_volume   281.56
_cell_formula_units_Z   2
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  Re8  1  0.69  0.66  0.0  1.0
  Re  Re9  1  0.43  0.0  0.0  1.0
  Re  Re10  1  0.78  0.1  0.0  1.0
  Re  Re11  1  0.22  0.1  0.33  1.0
  Re  Re12  1  0.38  0.0  0.33  1.0
  Re  Re13  1  0.31  0.66  0.33  1.0
  Re  Re14  1  0.0  0.51  0.67  1.0
  Re  Re15  1  0.9  0.25  0.0  1.0
  Re  Re16  1  0.9  0.25  0.67  1.0
  Re  Re17  1  0.0  0.51  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.67  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.42  0.46  0.0  1.0
  Mo  Mo3  1  0.97  0.0  0.0  1.0
  Mo  Mo4  1  0.52  0.3  0.0  1.0
  Mo  Mo5  1  0.48  0.3  0.33  1.0
  Mo  Mo6  1  0.84  0.0  0.33  1.0
  Mo  Mo7  1  0.58  0.46  0.33  1.0

data_Re5Mo4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.33
_cell_length_b   7.81
_cell_length_c   7.81
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Re5Mo4
_chemical_formula_sum   'Re10 Mo8'
_cell_volume   281.56
_cell_formula_units_Z   2
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  0.9  0.25  1.0
  Re  Re1  1  -0.0  0.0  0.51  1.0
  Re  Re2  1  0.0  0.43  0.0  1.0
  Re  Re3  1  0.0  0.69  0.66  1.0
  Re  Re4  1  0.0  0.78  0.1  1.0
  Re  Re5  1  0.33  0.22  0.1  1.0
  Re  Re6  1  0.33  0.31  0.66  1.0
  Re  Re7  1  0.33  0.38  0.0  1.0
  Re  Re8  1  0.67  0.0  0.51  1.0
  Re  Re9  1  0.67  0.9  0.25  1.0
  Mo  Mo10  1  0.0  0.0  0.0  1.0
  Mo  Mo11  1  0.0  0.42  0.46  1.0
  Mo  Mo12  1  0.0  0.52  0.3  1.0
  Mo  Mo13  1  0.0  0.97  0.0  1.0
  Mo  Mo14  1  0.33  0.48  0.3  1.0
  Mo  Mo15  1  0.33  0.58  0.46  1.0
  Mo  Mo16  1  0.33  0.84  0.0  1.0
  Mo  Mo17  1  0.67  0.0  0.0  1.0

Re Re Re Re Re Re Re Re Re Re Mo Mo Mo Mo Mo Mo Mo Mo
Re Re Re Re Re Re Re Re Re Re Mo Mo Mo Mo Mo Mo Mo Mo 0 17 o o o 0 12 o o o 1 14 o o o 1 4 o o o 1 5 o - o 2 7 o o o 2 8 o o - 2 16 o o o 3 4 o o o 3 15 o o o 4 15 o o o 4 5 o - o 5 9 o o o 5 6 o o o 5 12 o o o 5 17 o o o 6 8 - o o 6 9 o o + 7 8 o o - 7 9 + o o 7 16 o o o 8 16 o o o 10 13 - o + 10 11 o o + 10 16 - o o 11 13 - o o 11 16 - o o 12 14 o o o 13 16 o o o 14 17 o o o 14 15 o o o 15 17 o o o 
Mo4Re5 crystallizes in the triclinic P1 space group. There are eight inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one Mo(2), one Mo(4), one Mo(7), one Re(4), and one Re(9) atom. The Mo(1)-Mo(2) bond length is 1.78 Å. The Mo(1)-Mo(4) bond length is 1.80 Å. The Mo(1)-Mo(7) bond length is 2.17 Å. The Mo(1)-Re(4) bond length is 2.30 Å. The Mo(1)-Re(9) bond length is 2.45 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Mo(1), one Mo(4), and one Re(4) atom. The Mo(2)-Mo(4) bond length is 0.27 Å. The Mo(2)-Re(4) bond length is 2.30 Å. In the third Mo site, Mo(3) is bonded in a 1-coordinate geometry to one Mo(5), one Re(1), and one Re(6) atom. The Mo(3)-Mo(5) bond length is 1.75 Å. The Mo(3)-Re(1) bond length is 1.87 Å. The Mo(3)-Re(6) bond length is 2.74 Å. In the fourth Mo site, Mo(4) is bonded in a distorted single-bond geometry to one Mo(1), one Mo(2), one Re(1), and one Re(3) atom. The Mo(4)-Re(1) bond length is 2.46 Å. The Mo(4)-Re(3) bond length is 1.96 Å. In the fifth Mo site, Mo(5) is bonded in a 3-coordinate geometry to one Mo(3), one Mo(6), and one Re(2) atom. The Mo(5)-Mo(6) bond length is 1.80 Å. The Mo(5)-Re(2) bond length is 2.09 Å. In the sixth Mo site, Mo(6) is bonded in a distorted rectangular see-saw-like geometry to one Mo(5), one Mo(8), one Re(4), and one Re(5) atom. The Mo(6)-Mo(8) bond length is 1.09 Å. The Mo(6)-Re(4) bond length is 1.87 Å. The Mo(6)-Re(5) bond length is 2.06 Å. In the seventh Mo site, Mo(7) is bonded in a 1-coordinate geometry to one Mo(1), one Re(3), one Re(6), and one Re(9) atom. The Mo(7)-Re(3) bond length is 2.09 Å. The Mo(7)-Re(6) bond length is 3.64 Å. The Mo(7)-Re(9) bond length is 2.52 Å. In the eighth Mo site, Mo(8) is bonded in a 2-coordinate geometry to one Mo(6), one Re(1), and one Re(6) atom. The Mo(8)-Re(1) bond length is 2.22 Å. The Mo(8)-Re(6) bond length is 3.15 Å. There are ten inequivalent Re sites. In the first Re site, Re(1) is bonded in a 3-coordinate geometry to one Mo(3), one Mo(4), and one Mo(8) atom. In the second Re site, Re(2) is bonded in a 2-coordinate geometry to one Mo(5), one Re(5), and one Re(6) atom. The Re(2)-Re(5) bond length is 1.82 Å. The Re(2)-Re(6) bond length is 2.95 Å. In the third Re site, Re(3) is bonded in a 3-coordinate geometry to one Mo(4), one Mo(7), and one Re(8) atom. The Re(3)-Re(8) bond length is 1.07 Å. In the fourth Re site, Re(4) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Mo(6), and one Re(5) atom. The Re(4)-Re(5) bond length is 1.82 Å. In the fifth Re site, Re(5) is bonded in a 4-coordinate geometry to one Mo(6), one Re(2), one Re(4), and one Re(6) atom. The Re(5)-Re(6) bond length is 2.47 Å. In the sixth Re site, Re(6) is bonded in a 7-coordinate geometry to one Mo(3), one Mo(7), one Mo(8), one Re(10), one Re(2), one Re(5), and one Re(7) atom. The Re(6)-Re(10) bond length is 2.76 Å. The Re(6)-Re(7) bond length is 2.76 Å. In the seventh Re site, Re(7) is bonded in a distorted L-shaped geometry to one Re(10), one Re(6), and one Re(9) atom. The Re(7)-Re(10) bond length is 1.78 Å. The Re(7)-Re(9) bond length is 1.73 Å. In the eighth Re site, Re(8) is bonded in a 1-coordinate geometry to one Re(10), one Re(3), and one Re(9) atom. The Re(8)-Re(10) bond length is 1.73 Å. The Re(8)-Re(9) bond length is 1.78 Å. In the ninth Re site, Re(9) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), one Mo(7), one Re(7), and one Re(8) atom. In the tenth Re site, Re(10) is bonded in a distorted L-shaped geometry to one Re(6), one Re(7), and one Re(8) atom.