data_BeReAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.46
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeReAu2
_chemical_formula_sum   'Be1 Re1 Au2'
_cell_volume   62.89
_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  Be2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.16  0.16  0.16  1.0
  Au  Au0  1  0.58  0.58  0.58  1.0
  Au  Au1  1  0.73  0.73  0.73  1.0

data_BeReAu2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BeReAu2
_chemical_formula_sum   'Be3 Re3 Au6'
_cell_volume   188.68
_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  3  0.0  0.0  0.0  1.0
  Re  Re1  3  0.0  0.0  0.84  1.0
  Au  Au2  3  0.0  0.0  0.27  1.0
  Au  Au3  3  0.0  0.0  0.42  1.0

Be Re Au Au
Be Re Au Au 0 1 o o o 2 3 o o o 
BeReAu2 crystallizes in the trigonal R3m space group. Be(1) is bonded in a distorted single-bond geometry to one Re(1), three equivalent Au(1), and four equivalent Au(2) atoms. The Be(1)-Re(1) bond length is 1.71 Å. All Be(1)-Au(1) bond lengths are 2.75 Å. There are three shorter (2.68 Å) and one longer (2.90 Å) Be(1)-Au(2) bond length. Re(1) is bonded in a distorted single-bond geometry to one Be(1), three equivalent Au(1), and three equivalent Au(2) atoms. All Re(1)-Au(1) bond lengths are 2.75 Å. All Re(1)-Au(2) bond lengths are 2.75 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 7-coordinate geometry to three equivalent Be(1), three equivalent Re(1), and one Au(2) atom. The Au(1)-Au(2) bond length is 1.71 Å. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to four equivalent Be(1), three equivalent Re(1), and one Au(1) atom.