data_Yb3Re
_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   Yb3Re
_chemical_formula_sum   'Yb3 Re1'
_cell_volume   95.23
_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
  Yb  Yb0  1  0.81  0.81  0.81  1.0
  Yb  Yb1  1  0.44  0.44  0.44  1.0
  Yb  Yb2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.62  0.62  0.62  1.0

data_Yb3Re
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   12.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Yb3Re
_chemical_formula_sum   'Yb9 Re3'
_cell_volume   285.69
_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
  Yb  Yb0  3  0.0  0.0  0.0  1.0
  Yb  Yb1  3  0.0  0.0  0.19  1.0
  Yb  Yb2  3  0.0  0.0  0.56  1.0
  Re  Re3  3  0.0  0.0  0.38  1.0

Yb Yb Yb Re
Yb3Re crystallizes in the trigonal R3m space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a distorted single-bond geometry to one Yb(3) and one Re(1) atom. The Yb(1)-Yb(3) bond length is 2.36 Å. The Yb(1)-Re(1) bond length is 2.36 Å. In the second Yb site, Yb(2) is bonded in a single-bond geometry to one Re(1) atom. The Yb(2)-Re(1) bond length is 2.36 Å. In the third Yb site, Yb(3) is bonded in a 4-coordinate geometry to one Yb(1) and three equivalent Re(1) atoms. All Yb(3)-Re(1) bond lengths are 3.01 Å. Re(1) is bonded in a 2-coordinate geometry to one Yb(1), one Yb(2), and three equivalent Yb(3) atoms.