data_YReB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YReB
_chemical_formula_sum   'Y1 Re1 B1'
_cell_volume   61.68
_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
  Y  Y2  1  0.57  0.57  0.57  1.0
  Re  Re1  1  0.14  0.14  0.14  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_YReB
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   10.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   YReB
_chemical_formula_sum   'Y3 Re3 B3'
_cell_volume   185.05
_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
  Y  Y0  3  0.0  0.0  0.43  1.0
  Re  Re1  3  0.0  0.0  0.86  1.0
  B  B2  3  0.0  0.0  -0.0  1.0

Y Re B
YReB crystallizes in the trigonal R3m space group. Y(1) is bonded in a 6-coordinate geometry to three equivalent Re(1) and three equivalent B(1) atoms. All Y(1)-Re(1) bond lengths are 2.78 Å. All Y(1)-B(1) bond lengths are 2.78 Å. Re(1) is bonded to three equivalent Y(1) and one B(1) atom to form distorted ReY3B tetrahedra that share corners with three equivalent B(1)Y3Re tetrahedra, corners with six equivalent Re(1)Y3B tetrahedra, and edges with three equivalent B(1)Y3Re tetrahedra. The Re(1)-B(1) bond length is 1.48 Å. B(1) is bonded to three equivalent Y(1) and one Re(1) atom to form BY3Re tetrahedra that share corners with three equivalent Re(1)Y3B tetrahedra, corners with six equivalent B(1)Y3Re tetrahedra, and edges with three equivalent Re(1)Y3B tetrahedra.