data_ReMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReMo2
_chemical_formula_sum   'Re2 Mo4'
_cell_volume   95.63
_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  Re4  1  0.81  0.81  0.81  1.0
  Re  Re5  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.54  0.72  0.72  1.0
  Mo  Mo1  1  0.72  0.54  0.72  1.0
  Mo  Mo2  1  0.72  0.72  0.54  1.0
  Mo  Mo3  1  0.54  0.54  0.54  1.0

data_ReMo2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   ReMo2
_chemical_formula_sum   'Re6 Mo12'
_cell_volume   286.88
_cell_formula_units_Z   6
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
  Re  Re0  3  0.0  0.0  0.0  1.0
  Re  Re1  3  0.0  0.0  0.19  1.0
  Mo  Mo2  9  0.12  0.06  0.34  1.0
  Mo  Mo3  3  0.0  0.0  0.46  1.0

Re Re Mo Mo Mo Mo
Mo2Re crystallizes in the trigonal R3m space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one Mo(2), two equivalent Mo(1), one Re(1), and one Re(2) atom. The Mo(1)-Mo(2) bond length is 1.65 Å. Both Mo(1)-Mo(1) bond lengths are 0.95 Å. The Mo(1)-Re(1) bond length is 2.02 Å. The Mo(1)-Re(2) bond length is 2.42 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to three equivalent Mo(1) and three equivalent Re(1) atoms. All Mo(2)-Re(1) bond lengths are 3.04 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 7-coordinate geometry to three equivalent Mo(1), three equivalent Mo(2), and one Re(2) atom. The Re(1)-Re(2) bond length is 2.33 Å. In the second Re site, Re(2) is bonded in a trigonal pyramidal geometry to three equivalent Mo(1) and one Re(1) atom.