data_Be4CrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   4.27
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be4CrRu
_chemical_formula_sum   'Be4 Cr1 Ru1'
_cell_volume   55.01
_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
  Be  Be0  1  0.26  0.26  0.26  1.0
  Be  Be1  1  0.78  0.26  0.78  1.0
  Be  Be2  1  0.26  0.78  0.78  1.0
  Be  Be3  1  0.78  0.78  0.26  1.0
  Cr  Cr4  1  0.0  0.0  0.0  1.0
  Ru  Ru5  1  0.53  0.53  0.53  1.0

data_Be4CrRu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   10.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Be4CrRu
_chemical_formula_sum   'Be12 Cr3 Ru3'
_cell_volume   165.04
_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
  Be  Be0  9  0.01  0.51  0.73  1.0
  Be  Be1  3  0.0  0.0  0.74  1.0
  Cr  Cr2  3  0.0  0.0  0.0  1.0
  Ru  Ru3  3  0.0  0.0  0.47  1.0

Be Be Be Be Cr Ru
Be4CrRu crystallizes in the trigonal R3m space group. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to six equivalent Be(2), one Cr(1), and one Ru(1) atom to form distorted corner-sharing BeBe6CrRu hexagonal bipyramids. All Be(1)-Be(2) bond lengths are 2.14 Å. The Be(1)-Cr(1) bond length is 2.70 Å. The Be(1)-Ru(1) bond length is 2.82 Å. In the second Be site, Be(2) is bonded in a linear geometry to two equivalent Be(1), one Cr(1), and one Ru(1) atom. The Be(2)-Cr(1) bond length is 1.34 Å. The Be(2)-Ru(1) bond length is 1.52 Å. Cr(1) is bonded in a 3-coordinate geometry to one Be(1) and three equivalent Be(2) atoms. Ru(1) is bonded in a 3-coordinate geometry to one Be(1) and three equivalent Be(2) atoms.