data_Lu2BeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu2BeRu
_chemical_formula_sum   'Lu2 Be1 Ru1'
_cell_volume   74.15
_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
  Lu  Lu1  1  0.67  0.67  0.67  1.0
  Lu  Lu2  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ru  Ru3  1  0.33  0.33  0.33  1.0

data_Lu2BeRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   11.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Lu2BeRu
_chemical_formula_sum   'Lu6 Be3 Ru3'
_cell_volume   222.45
_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
  Lu  Lu0  3  0.0  0.0  0.33  1.0
  Lu  Lu1  3  0.0  0.0  1.0  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0
  Ru  Ru3  3  0.0  0.0  0.67  1.0

BeLu2Ru crystallizes in the trigonal R3m space group. Be(1) is bonded in a single-bond geometry to one Lu(2) and three equivalent Ru(1) atoms. The Be(1)-Lu(2) bond length is 0.02 Å. All Be(1)-Ru(1) bond lengths are 2.72 Å. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 3-coordinate geometry to four equivalent Ru(1) atoms. There are three shorter (2.72 Å) and one longer (3.84 Å) Lu(1)-Ru(1) bond length. In the second Lu site, Lu(2) is bonded in a single-bond geometry to one Be(1) and four equivalent Ru(1) atoms. There are three shorter (2.72 Å) and one longer (3.84 Å) Lu(2)-Ru(1) bond length. Ru(1) is bonded in a 11-coordinate geometry to three equivalent Be(1), four equivalent Lu(1), and four equivalent Lu(2) atoms.