data_BaBeZnAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeZnAu
_chemical_formula_sum   'Ba1 Be1 Zn1 Au1'
_cell_volume   96.09
_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
  Ba  Ba1  1  0.82  0.82  0.82  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.45  0.45  0.45  1.0
  Au  Au0  1  0.64  0.64  0.64  1.0

data_BaBeZnAu
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   12.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BaBeZnAu
_chemical_formula_sum   'Ba3 Be3 Zn3 Au3'
_cell_volume   288.26
_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
  Ba  Ba0  3  0.0  0.0  0.18  1.0
  Be  Be1  3  0.0  0.0  0.0  1.0
  Zn  Zn2  3  0.0  0.0  0.55  1.0
  Au  Au3  3  0.0  0.0  0.36  1.0

Ba Be Zn Au
BaBeAuZn crystallizes in the trigonal R3m space group. Ba(1) is bonded in a 2-coordinate geometry to one Be(1), one Au(1), and three equivalent Zn(1) atoms. The Ba(1)-Be(1) bond length is 2.30 Å. The Ba(1)-Au(1) bond length is 2.30 Å. All Ba(1)-Zn(1) bond lengths are 2.99 Å. Be(1) is bonded in a distorted single-bond geometry to one Ba(1) atom. Au(1) is bonded in a distorted linear geometry to one Ba(1) and one Zn(1) atom. The Au(1)-Zn(1) bond length is 2.30 Å. Zn(1) is bonded to three equivalent Ba(1) and one Au(1) atom to form distorted corner-sharing ZnBa3Au trigonal pyramids.